2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide

C10H12N6OS2 — CID 166312547

IUPAC2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CC(c3nn[nH]n3)C2)s1
InChIInChI=1S/C10H12N6OS2/c1-18-10-11-4-7(19-10)9(17)12-6-2-5(3-6)8-13-15-16-14-8/h4-6H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyYPNHHKKHSJOVRQ-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.05
Rot. Bonds4

About 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide

2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 166312547) has the molecular formula C10H12N6OS2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
PubChem CID166312547
Molecular FormulaC10H12N6OS2
Molecular Weight296.38 g/mol
Exact Mass296.05
IUPAC Name2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CC(c3nn[nH]n3)C2)s1
InChIInChI=1S/C10H12N6OS2/c1-18-10-11-4-7(19-10)9(17)12-6-2-5(3-6)8-13-15-16-14-8/h4-6H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyYPNHHKKHSJOVRQ-UHFFFAOYSA-N
XLogP1.05
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide (CID 166312547) is 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide is CSc1ncc(C(=O)NC2CC(c3nn[nH]n3)C2)s1.
What is the InChIKey of 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YPNHHKKHSJOVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS2/c1-18-10-11-4-7(19-10)9(17)12-6-2-5(3-6)8-13-15-16-14-8/h4-6H,2-3H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 296.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166312547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).