N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide

C16H15F2N5OSSn — CID 165130064

IUPACN-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C1CC1)n1cc(NC(=O)c2csc(C3=C[Sn]N=C3)n2)c(C(F)F)n1
InChIInChI=1S/C16H15F2N5OS.Sn/c1-8(5-19)16-21-12(7-25-16)15(24)20-11-6-23(9(2)10-3-4-10)22-13(11)14(17)18;/h1,5-7,9-10,14H,3-4H2,2H3,(H,20,24);/q-1;+1
InChIKeyWUKXPBWQYLSMRJ-UHFFFAOYSA-N
MW482.10 g/mol
LogP3.55
Rot. Bonds6

About N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130064) has the molecular formula C16H15F2N5OSSn and a molecular weight of 482.10 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130064
Molecular FormulaC16H15F2N5OSSn
Molecular Weight482.10 g/mol
Exact Mass483.00
IUPAC NameN-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C1CC1)n1cc(NC(=O)c2csc(C3=C[Sn]N=C3)n2)c(C(F)F)n1
InChIInChI=1S/C16H15F2N5OS.Sn/c1-8(5-19)16-21-12(7-25-16)15(24)20-11-6-23(9(2)10-3-4-10)22-13(11)14(17)18;/h1,5-7,9-10,14H,3-4H2,2H3,(H,20,24);/q-1;+1
InChIKeyWUKXPBWQYLSMRJ-UHFFFAOYSA-N
XLogP3.55
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.10
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide 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-(1-cyclopropylethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130029
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 167957814
2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 172595777
2-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 114263065
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924
1-[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]ethylphosphonic acid
CID 172772903
2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261832
N-(1-methylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36749788
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 31861373
1-[4-[4-[[1-(4-ethoxycyclohexyl)-3-pyrimidin-2-ylpyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]ethyl dihydrogen phosphate
CID 169078250
2-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 134263403

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130064) is N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide is CC(C1CC1)n1cc(NC(=O)c2csc(C3=C[Sn]N=C3)n2)c(C(F)F)n1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WUKXPBWQYLSMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS.Sn/c1-8(5-19)16-21-12(7-25-16)15(24)20-11-6-23(9(2)10-3-4-10)22-13(11)14(17)18;/h1,5-7,9-10,14H,3-4H2,2H3,(H,20,24);/q-1;+1.
What are the key properties of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 482.10 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).