N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H17N7OS2 — CID 6465480

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C12H17N7OS2/c1-19-12(16-17-18-19)21-7-9(20)13-11-15-14-10(22-11)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,13,15,20)
InChIKeyFNVLQHBTAKGXJY-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.84
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 6465480) has the molecular formula C12H17N7OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID6465480
Molecular FormulaC12H17N7OS2
Molecular Weight339.45 g/mol
Exact Mass339.09
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C12H17N7OS2/c1-19-12(16-17-18-19)21-7-9(20)13-11-15-14-10(22-11)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,13,15,20)
InChIKeyFNVLQHBTAKGXJY-UHFFFAOYSA-N
XLogP1.84
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 6465480) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FNVLQHBTAKGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS2/c1-19-12(16-17-18-19)21-7-9(20)13-11-15-14-10(22-11)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,13,15,20).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 339.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 6465480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).