2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C12H17N7OS2 — CID 2064397

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C2CCCC2)s1
InChIInChI=1S/C12H17N7OS2/c1-2-10-14-15-11(22-10)13-9(20)7-21-12-16-17-18-19(12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,15,20)
InChIKeyHWXRZYDUDKEIMR-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.93
Rot. Bonds6

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2064397) has the molecular formula C12H17N7OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2064397
Molecular FormulaC12H17N7OS2
Molecular Weight339.45 g/mol
Exact Mass339.09
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C2CCCC2)s1
InChIInChI=1S/C12H17N7OS2/c1-2-10-14-15-11(22-10)13-9(20)7-21-12-16-17-18-19(12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,15,20)
InChIKeyHWXRZYDUDKEIMR-UHFFFAOYSA-N
XLogP1.93
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2064397) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nnnn2C2CCCC2)s1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HWXRZYDUDKEIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS2/c1-2-10-14-15-11(22-10)13-9(20)7-21-12-16-17-18-19(12)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,15,20).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 339.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2064397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).