N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

C16H26N4S — CID 79568651

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C(C)(C)C)cs1)c1cnn(C)c1C
InChIInChI=1S/C16H26N4S/c1-7-8-17-14(12-9-18-20(6)11(12)2)15-19-13(10-21-15)16(3,4)5/h9-10,14,17H,7-8H2,1-6H3
InChIKeyREOWSNJZMYXNMB-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.57
Rot. Bonds5

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 79568651) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID79568651
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C(C)(C)C)cs1)c1cnn(C)c1C
InChIInChI=1S/C16H26N4S/c1-7-8-17-14(12-9-18-20(6)11(12)2)15-19-13(10-21-15)16(3,4)5/h9-10,14,17H,7-8H2,1-6H3
InChIKeyREOWSNJZMYXNMB-UHFFFAOYSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-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-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851
N-[(1,5-dimethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 79584469
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 79583531
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 63405438
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 103572490

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 79568651) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1nc(C(C)(C)C)cs1)c1cnn(C)c1C.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is REOWSNJZMYXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-7-8-17-14(12-9-18-20(6)11(12)2)15-19-13(10-21-15)16(3,4)5/h9-10,14,17H,7-8H2,1-6H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 306.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 79568651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).