(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide

C17H23N5O2S — CID 97213212

IUPAC(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCC[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H23N5O2S/c1-3-4-14(20-16(23)12(2)22-11-18-10-19-22)17(24)21-7-5-15-13(9-21)6-8-25-15/h6,8,10-12,14H,3-5,7,9H2,1-2H3,(H,20,23)/t12-,14-/m0/s1
InChIKeyOHQULPQGLDQFFN-JSGCOSHPSA-N
MW361.47 g/mol
LogP1.77
Rot. Bonds6

About (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 97213212) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID97213212
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCC[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H23N5O2S/c1-3-4-14(20-16(23)12(2)22-11-18-10-19-22)17(24)21-7-5-15-13(9-21)6-8-25-15/h6,8,10-12,14H,3-5,7,9H2,1-2H3,(H,20,23)/t12-,14-/m0/s1
InChIKeyOHQULPQGLDQFFN-JSGCOSHPSA-N
XLogP1.77
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)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

N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpropanamide
CID 52876316
2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 146085843
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide
CID 52522702
2-(4-aminophenyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 119765404
2-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975797
(2R,3R)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-3-methyloxolane-2-carboxamide
CID 97027212
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]pentan-1-one
CID 99819854
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631475
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
CID 94004829
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120629717
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 97213212) is (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide is CCC[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)N1CCc2sccc2C1.
What is the InChIKey of (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OHQULPQGLDQFFN-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-3-4-14(20-16(23)12(2)22-11-18-10-19-22)17(24)21-7-5-15-13(9-21)6-8-25-15/h6,8,10-12,14H,3-5,7,9H2,1-2H3,(H,20,23)/t12-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 97213212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).