2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide

C8H8N6OS — CID 6460651

IUPAC2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1cccnc1
InChIInChI=1S/C8H8N6OS/c9-7(15)5-16-8-11-12-13-14(8)6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,15)
InChIKeyMMFCNAXZWVGUKP-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.37
Rot. Bonds4

About 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide

2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 6460651) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
PubChem CID6460651
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1cccnc1
InChIInChI=1S/C8H8N6OS/c9-7(15)5-16-8-11-12-13-14(8)6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,15)
InChIKeyMMFCNAXZWVGUKP-UHFFFAOYSA-N
XLogP-0.37
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethylphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylethanone
CID 1452321
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
CID 3164590
3-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 4226066
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 859389
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 865031
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 35164812
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
2-[1-(3-bromophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070233

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide (CID 6460651) is 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide is NC(=O)CSc1nnnn1-c1cccnc1.
What is the InChIKey of 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MMFCNAXZWVGUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c9-7(15)5-16-8-11-12-13-14(8)6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,15).
What are the key properties of 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide?
2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 236.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 6460651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).