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

C19H17N5OS2 — CID 25490801

IUPAC2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H17N5OS2/c1-13(14-4-6-16(7-5-14)24-12-20-11-21-24)22-18(25)9-15-10-27-19(23-15)17-3-2-8-26-17/h2-8,10-13H,9H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyXLAPRVQCCGQJCJ-ZDUSSCGKSA-N
MW395.51 g/mol
LogP3.87
Rot. Bonds6

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

2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 25490801) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID25490801
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H17N5OS2/c1-13(14-4-6-16(7-5-14)24-12-20-11-21-24)22-18(25)9-15-10-27-19(23-15)17-3-2-8-26-17/h2-8,10-13H,9H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyXLAPRVQCCGQJCJ-ZDUSSCGKSA-N
XLogP3.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 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-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 41048012
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17407662
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
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 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) is 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is XLAPRVQCCGQJCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-13(14-4-6-16(7-5-14)24-12-20-11-21-24)22-18(25)9-15-10-27-19(23-15)17-3-2-8-26-17/h2-8,10-13H,9H2,1H3,(H,22,25)/t13-/m0/s1.
What are the key properties of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 25490801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).