(2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

C16H19N5OS2 — CID 32540398

IUPAC(2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1n[nH]c(CC2CCCC2)n1)C(=O)Nc1sccc1C#N
InChIInChI=1S/C16H19N5OS2/c1-10(14(22)19-15-12(9-17)6-7-23-15)24-16-18-13(20-21-16)8-11-4-2-3-5-11/h6-7,10-11H,2-5,8H2,1H3,(H,19,22)(H,18,20,21)/t10-/m1/s1
InChIKeyWDJBEUYPVBZFJZ-SNVBAGLBSA-N
MW361.50 g/mol
LogP3.59
Rot. Bonds6

About (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

(2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 32540398) has the molecular formula C16H19N5OS2 and a molecular weight of 361.50 g/mol. Its IUPAC name is (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID32540398
Molecular FormulaC16H19N5OS2
Molecular Weight361.50 g/mol
Exact Mass361.10
IUPAC Name(2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1n[nH]c(CC2CCCC2)n1)C(=O)Nc1sccc1C#N
InChIInChI=1S/C16H19N5OS2/c1-10(14(22)19-15-12(9-17)6-7-23-15)24-16-18-13(20-21-16)8-11-4-2-3-5-11/h6-7,10-11H,2-5,8H2,1H3,(H,19,22)(H,18,20,21)/t10-/m1/s1
InChIKeyWDJBEUYPVBZFJZ-SNVBAGLBSA-N
XLogP3.59
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]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

2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 16587840
(2R)-N-(4-cyanophenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40799122
N-(2-chloro-4-fluorophenyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16587803
N-(3-cyanothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42119297
(2R)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 42411065
(2S)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 39023776
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41236618
N-cycloheptyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18144417
N-(3-chloro-4-cyanophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 24600609
(2S)-N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8959640
N-(4-tert-butylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18291862
(2S)-2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41083741

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 32540398) is (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide is C[C@@H](Sc1n[nH]c(CC2CCCC2)n1)C(=O)Nc1sccc1C#N.
What is the InChIKey of (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is WDJBEUYPVBZFJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N5OS2/c1-10(14(22)19-15-12(9-17)6-7-23-15)24-16-18-13(20-21-16)8-11-4-2-3-5-11/h6-7,10-11H,2-5,8H2,1H3,(H,19,22)(H,18,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?
(2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 361.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 32540398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).