2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C18H15N5OS2 — CID 41048012

IUPAC2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H15N5OS2/c1-12(13-4-6-14(7-5-13)23-11-19-10-20-23)21-17(24)15-9-26-18(22-15)16-3-2-8-25-16/h2-12H,1H3,(H,21,24)/t12-/m0/s1
InChIKeyFWWTTZGOVQPBCX-LBPRGKRZSA-N
MW381.49 g/mol
LogP3.94
Rot. Bonds5

About 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 41048012) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID41048012
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC Name2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H15N5OS2/c1-12(13-4-6-14(7-5-13)23-11-19-10-20-23)21-17(24)15-9-26-18(22-15)16-3-2-8-25-16/h2-12H,1H3,(H,21,24)/t12-/m0/s1
InChIKeyFWWTTZGOVQPBCX-LBPRGKRZSA-N
XLogP3.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-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

2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25490801
2-(2-aminoethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618402
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
CID 16574185
4-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-2-carboxamide
CID 95784465
3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792
3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 25397843
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 94344688
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 41048012) is 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FWWTTZGOVQPBCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-12(13-4-6-14(7-5-13)23-11-19-10-20-23)21-17(24)15-9-26-18(22-15)16-3-2-8-25-16/h2-12H,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 41048012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).