(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

C13H11ClN6OS — CID 125433444

IUPAC(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN6OS/c14-10-1-2-12(15-6-10)17-13(21)5-11(9-3-4-22-7-9)20-8-16-18-19-20/h1-4,6-8,11H,5H2,(H,15,17,21)/t11-/m0/s1
InChIKeyUJBBRGQVMODOJG-NSHDSACASA-N
MW334.79 g/mol
LogP2.40
Rot. Bonds5

About (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (PubChem CID 125433444) has the molecular formula C13H11ClN6OS and a molecular weight of 334.79 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
PubChem CID125433444
Molecular FormulaC13H11ClN6OS
Molecular Weight334.79 g/mol
Exact Mass334.04
IUPAC Name(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN6OS/c14-10-1-2-12(15-6-10)17-13(21)5-11(9-3-4-22-7-9)20-8-16-18-19-20/h1-4,6-8,11H,5H2,(H,15,17,21)/t11-/m0/s1
InChIKeyUJBBRGQVMODOJG-NSHDSACASA-N
XLogP2.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-{6-Chloro-[1,2,4]triazolo[4,3-A]pyridin-3-YL}piperidin-4-YL)-2-(thiophen-2-YL)acetamide
CID 53203544
N-(1-{6-Chloro-[1,2,4]triazolo[4,3-A]pyridin-3-YL}piperidin-4-YL)-2-(thiophen-3-YL)acetamide
CID 53203553
N-(5-chloropyridin-2-yl)-2-(thiophen-2-yl)acetamide
CID 3140493
N-[1-(3,5-Dichloropyridin-2-YL)pyrazol-4-YL]-3-methylthiophene-2-carboxamide
CID 99703193
N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]-3-pyridin-4-ylpropanamide
CID 121587524
N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2-(tetrazol-1-yl)acetamide
CID 121588853
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2398055
N-[3-chloro-5-(trifluoromethyl)(2-pyridyl)]-2-(2-thienyl)acetamide
CID 4188468
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide
CID 16285649
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16357103
N-(5-chloro-2-pyridinyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
CID 19496777
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 22108974

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (CID 125433444) is (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc(Cl)cn1.
What is the InChIKey of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is UJBBRGQVMODOJG-NSHDSACASA-N. The full InChI is InChI=1S/C13H11ClN6OS/c14-10-1-2-12(15-6-10)17-13(21)5-11(9-3-4-22-7-9)20-8-16-18-19-20/h1-4,6-8,11H,5H2,(H,15,17,21)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 334.79 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125433444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).