N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C13H11ClN6OS2 — CID 51244515

IUPACN-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN6OS2/c14-9-3-4-11(15-6-9)16-12(21)8-23-13-17-18-19-20(13)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,15,16,21)
InChIKeyYFWGGVXEPQBGBP-UHFFFAOYSA-N
MW366.86 g/mol
LogP2.56
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 51244515) has the molecular formula C13H11ClN6OS2 and a molecular weight of 366.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID51244515
Molecular FormulaC13H11ClN6OS2
Molecular Weight366.86 g/mol
Exact Mass366.01
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN6OS2/c14-9-3-4-11(15-6-9)16-12(21)8-23-13-17-18-19-20(13)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,15,16,21)
InChIKeyYFWGGVXEPQBGBP-UHFFFAOYSA-N
XLogP2.56
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693836
4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 46639713
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288
N-[(3-chlorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244560
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639659
N-(propan-2-ylcarbamoyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987439
2-[[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 36987378
N-(1-cyanocyclopentyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987770
N-[(1S)-1-phenylethyl]-2-[[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 41201832
N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
CID 36987490
N-[(1R)-1-(furan-2-yl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41142596
N-[(3,4-dimethylphenyl)carbamoyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 24522419

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 51244515) is N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1Cc1cccs1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YFWGGVXEPQBGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6OS2/c14-9-3-4-11(15-6-9)16-12(21)8-23-13-17-18-19-20(13)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,15,16,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 366.86 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 51244515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).