1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H17F3N6O2S — CID 58832704

IUPAC1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C18H17F3N6O2S/c1-10(22)15(28)24-9-11-3-2-4-12(7-11)27-13(8-14(26-27)18(19,20)21)16(29)25-17-23-5-6-30-17/h2-8,10H,9,22H2,1H3,(H,24,28)(H,23,25,29)/t10-/m0/s1
InChIKeyYHZSLSUOFWVEMR-JTQLQIEISA-N
MW438.44 g/mol
LogP2.56
Rot. Bonds6

About 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 58832704) has the molecular formula C18H17F3N6O2S and a molecular weight of 438.44 g/mol. Its IUPAC name is 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID58832704
Molecular FormulaC18H17F3N6O2S
Molecular Weight438.44 g/mol
Exact Mass438.11
IUPAC Name1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C18H17F3N6O2S/c1-10(22)15(28)24-9-11-3-2-4-12(7-11)27-13(8-14(26-27)18(19,20)21)16(29)25-17-23-5-6-30-17/h2-8,10H,9,22H2,1H3,(H,24,28)(H,23,25,29)/t10-/m0/s1
InChIKeyYHZSLSUOFWVEMR-JTQLQIEISA-N
XLogP2.56
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-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-(3,4-difluorophenyl)-1-methyl-4-[2-oxo-2-(thiazol-2-ylamino)acetyl]pyrrole-2-carboxamide
CID 130408491
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(thiazol-2-ylamino)acetyl]pyrrole-2-carboxamide
CID 130408591
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
2-(isopropylamino)-N-(2-methyl-5-((1-methyl-1H-pyrazol-5-yl)carbamoyl)phenyl)thiazole-5-carboxamide
CID 11395429
N,1-dibenzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 46221409
N-[4-(aminomethyl)thiazol-2-yl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide
CID 56643478
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
(2,6-difluorophenyl)-N-{5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848090
2-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848137
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 56848138

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 58832704) is 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2nccs2)c1.
What is the InChIKey of 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YHZSLSUOFWVEMR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17F3N6O2S/c1-10(22)15(28)24-9-11-3-2-4-12(7-11)27-13(8-14(26-27)18(19,20)21)16(29)25-17-23-5-6-30-17/h2-8,10H,9,22H2,1H3,(H,24,28)(H,23,25,29)/t10-/m0/s1.
What are the key properties of 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 58832704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).