N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine

C78H114ClF5N16O3S — CID 161071086

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(C)(C)CCCc1nccn1C(F)F.CC(C)(C)N(CC(=O)Nc1ccccc1)Cc1ccco1.CC(C)(C)N(CCn1cccn1)Cc1csc(Cc2ccccc2)n1.CC(C)(C)NCCc1nnc2n1CCC2.CC(C)(C)NCCn1cccn1.CC(C)(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C20H26N4S.C17H22N2O2.C11H18F2N2.C11H20N4.C10H11ClF3NO.C9H17N3/c1-20(2,3)23(12-13-24-11-7-10-21-24)15-18-16-25-19(22-18)14-17-8-5-4-6-9-17;1-17(2,3)19(12-15-10-7-11-21-15)13-16(20)18-14-8-5-4-6-9-14;1-11(2,3)6-4-5-9-14-7-8-15(9)10(12)13;1-11(2,3)12-7-6-10-14-13-9-5-4-8-15(9)10;1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16;1-9(2,3)10-6-8-12-7-4-5-11-12/h4-11,16H,12-15H2,1-3H3;4-11H,12-13H2,1-3H3,(H,18,20);7-8,10H,4-6H2,1-3H3;12H,4-8H2,1-3H3;4-5H,1-3H3;4-5,7,10H,6,8H2,1-3H3
InChIKeyUEQYDEROGUHSOA-UHFFFAOYSA-N
MW1486.39 g/mol
LogP17.10
Rot. Bonds22

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine (PubChem CID 161071086) has the molecular formula C78H114ClF5N16O3S and a molecular weight of 1486.39 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine
PubChem CID161071086
Molecular FormulaC78H114ClF5N16O3S
Molecular Weight1486.39 g/mol
Exact Mass1484.86
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(C)(C)CCCc1nccn1C(F)F.CC(C)(C)N(CC(=O)Nc1ccccc1)Cc1ccco1.CC(C)(C)N(CCn1cccn1)Cc1csc(Cc2ccccc2)n1.CC(C)(C)NCCc1nnc2n1CCC2.CC(C)(C)NCCn1cccn1.CC(C)(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C20H26N4S.C17H22N2O2.C11H18F2N2.C11H20N4.C10H11ClF3NO.C9H17N3/c1-20(2,3)23(12-13-24-11-7-10-21-24)15-18-16-25-19(22-18)14-17-8-5-4-6-9-17;1-17(2,3)19(12-15-10-7-11-21-15)13-16(20)18-14-8-5-4-6-9-14;1-11(2,3)6-4-5-9-14-7-8-15(9)10(12)13;1-11(2,3)12-7-6-10-14-13-9-5-4-8-15(9)10;1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16;1-9(2,3)10-6-8-12-7-4-5-11-12/h4-11,16H,12-15H2,1-3H3;4-11H,12-13H2,1-3H3,(H,18,20);7-8,10H,4-6H2,1-3H3;12H,4-8H2,1-3H3;4-5H,1-3H3;4-5,7,10H,6,8H2,1-3H3
InChIKeyUEQYDEROGUHSOA-UHFFFAOYSA-N
XLogP17.10
TPSA191.84 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001486.39
LogP ≤ 517.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
CID 158708288
N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 160011077
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
CID 160475971
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
CID 167586915
N-benzyl-2,2-dimethylpropanamide;N,N-bis(2-methoxyethyl)-2,2-dimethylpropanamide;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide
CID 158684809

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine (CID 161071086) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine is CC(C)(C)CCCc1nccn1C(F)F.CC(C)(C)N(CC(=O)Nc1ccccc1)Cc1ccco1.CC(C)(C)N(CCn1cccn1)Cc1csc(Cc2ccccc2)n1.CC(C)(C)NCCc1nnc2n1CCC2.CC(C)(C)NCCn1cccn1.CC(C)(C)n1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The InChIKey is UEQYDEROGUHSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S.C17H22N2O2.C11H18F2N2.C11H20N4.C10H11ClF3NO.C9H17N3/c1-20(2,3)23(12-13-24-11-7-10-21-24)15-18-16-25-19(22-18)14-17-8-5-4-6-9-17;1-17(2,3)19(12-15-10-7-11-21-15)13-16(20)18-14-8-5-4-6-9-14;1-11(2,3)6-4-5-9-14-7-8-15(9)10(12)13;1-11(2,3)12-7-6-10-14-13-9-5-4-8-15(9)10;1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16;1-9(2,3)10-6-8-12-7-4-5-11-12/h4-11,16H,12-15H2,1-3H3;4-11H,12-13H2,1-3H3,(H,18,20);7-8,10H,4-6H2,1-3H3;12H,4-8H2,1-3H3;4-5H,1-3H3;4-5,7,10H,6,8H2,1-3H3.
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine has a molecular weight of 1486.39 g/mol, XLogP of 17.10, 22 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine is sourced from PubChem (CID 161071086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).