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

C17H18N4OS — CID 25397843

IUPAC3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1cccs1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H18N4OS/c1-13(20-17(22)9-8-16-3-2-10-23-16)14-4-6-15(7-5-14)21-12-18-11-19-21/h2-7,10-13H,8-9H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyIIZZDPPZYZRLQT-ZDUSSCGKSA-N
MW326.43 g/mol
LogP3.14
Rot. Bonds6

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

3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 25397843) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
PubChem CID25397843
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1cccs1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H18N4OS/c1-13(20-17(22)9-8-16-3-2-10-23-16)14-4-6-15(7-5-14)21-12-18-11-19-21/h2-7,10-13H,8-9H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyIIZZDPPZYZRLQT-ZDUSSCGKSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
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-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 41048012
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 24597051
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 135956284
3-(4-methoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 24644422
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (CID 25397843) is 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is C[C@H](NC(=O)CCc1cccs1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is IIZZDPPZYZRLQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13(20-17(22)9-8-16-3-2-10-23-16)14-4-6-15(7-5-14)21-12-18-11-19-21/h2-7,10-13H,8-9H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 326.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 25397843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).