2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide

C8H9N7OS — CID 1301816

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ncccn1
InChIInChI=1S/C8H9N7OS/c1-15-8(12-13-14-15)17-5-6(16)11-7-9-3-2-4-10-7/h2-4H,5H2,1H3,(H,9,10,11,16)
InChIKeyZYCHZBCCAPNGFS-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.27
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 1301816) has the molecular formula C8H9N7OS and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID1301816
Molecular FormulaC8H9N7OS
Molecular Weight251.28 g/mol
Exact Mass251.06
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ncccn1
InChIInChI=1S/C8H9N7OS/c1-15-8(12-13-14-15)17-5-6(16)11-7-9-3-2-4-10-7/h2-4H,5H2,1H3,(H,9,10,11,16)
InChIKeyZYCHZBCCAPNGFS-UHFFFAOYSA-N
XLogP-0.27
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3507581
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633186
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
methyl 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 6470928
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
CID 17027703
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2456584

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide (CID 1301816) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide is Cn1nnnc1SCC(=O)Nc1ncccn1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is ZYCHZBCCAPNGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7OS/c1-15-8(12-13-14-15)17-5-6(16)11-7-9-3-2-4-10-7/h2-4H,5H2,1H3,(H,9,10,11,16).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 251.28 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 1301816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).