N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C14H11ClN6OS — CID 974456

IUPACN-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN6OS/c15-10-6-7-12(16-8-10)17-13(22)9-23-14-18-19-20-21(14)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17,22)
InChIKeyWLBDNDIDOYLXSE-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.44
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 974456) has the molecular formula C14H11ClN6OS and a molecular weight of 346.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID974456
Molecular FormulaC14H11ClN6OS
Molecular Weight346.80 g/mol
Exact Mass346.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN6OS/c15-10-6-7-12(16-8-10)17-13(22)9-23-14-18-19-20-21(14)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17,22)
InChIKeyWLBDNDIDOYLXSE-UHFFFAOYSA-N
XLogP2.44
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1122655
N-(4-Chloro-phenyl)-2-(5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3161717
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 16196721
N-(2-Chloro-phenyl)-2-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 974980
N-(2-chloro-phenyl)-1-pyridin-2-yl-1H-[1,2,4]triazole-3,5-diamine
CID 56595688
N-(5-chloropyridin-2-yl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135468959
N-(3-chlorophenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
CID 6459133
N-(3-Chlorophenyl)-2-((3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)thio)acetamide
CID 856234
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(6-methyl-pyridin-2-yl)-acetamide
CID 651022
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 651481
N-(5-Chloro-2-pyridinyl)-2-[(4-methyl-4H-1,2,4-triazol-3-YL)sulfanyl]acetamide
CID 672455
2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 860734

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 974456) is N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is WLBDNDIDOYLXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6OS/c15-10-6-7-12(16-8-10)17-13(22)9-23-14-18-19-20-21(14)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 346.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 974456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).