4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide

C13H12N6OS2 — CID 851623

IUPAC4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCn1nnnc1SCc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H12N6OS2/c1-19-13(16-17-18-19)22-8-9-2-4-10(5-3-9)11(20)15-12-14-6-7-21-12/h2-7H,8H2,1H3,(H,14,15,20)
InChIKeyMIKIAXCDUOKMNF-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.21
Rot. Bonds5

About 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide

4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 851623) has the molecular formula C13H12N6OS2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID851623
Molecular FormulaC13H12N6OS2
Molecular Weight332.41 g/mol
Exact Mass332.05
IUPAC Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCn1nnnc1SCc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H12N6OS2/c1-19-13(16-17-18-19)22-8-9-2-4-10(5-3-9)11(20)15-12-14-6-7-21-12/h2-7H,8H2,1H3,(H,14,15,20)
InChIKeyMIKIAXCDUOKMNF-UHFFFAOYSA-N
XLogP2.21
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide (CID 851623) is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide is Cn1nnnc1SCc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is MIKIAXCDUOKMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS2/c1-19-13(16-17-18-19)22-8-9-2-4-10(5-3-9)11(20)15-12-14-6-7-21-12/h2-7H,8H2,1H3,(H,14,15,20).
What are the key properties of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 851623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).