2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C12H12N6OS3 — CID 655582

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C12H12N6OS3/c1-2-18-12(15-16-17-18)22-7-10(19)14-11-13-8(6-21-11)9-4-3-5-20-9/h3-6H,2,7H2,1H3,(H,13,14,19)
InChIKeyCFJSNLPVWGNEKV-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.61
Rot. Bonds6

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 655582) has the molecular formula C12H12N6OS3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID655582
Molecular FormulaC12H12N6OS3
Molecular Weight352.47 g/mol
Exact Mass352.02
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C12H12N6OS3/c1-2-18-12(15-16-17-18)22-7-10(19)14-11-13-8(6-21-11)9-4-3-5-20-9/h3-6H,2,7H2,1H3,(H,13,14,19)
InChIKeyCFJSNLPVWGNEKV-UHFFFAOYSA-N
XLogP2.61
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 655582) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is CCn1nnnc1SCC(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CFJSNLPVWGNEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS3/c1-2-18-12(15-16-17-18)22-7-10(19)14-11-13-8(6-21-11)9-4-3-5-20-9/h3-6H,2,7H2,1H3,(H,13,14,19).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 352.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 655582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).