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

C13H12N6OS2 — CID 60564824

IUPAC4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nnnc1SCc1csc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H12N6OS2/c1-19-13(16-17-18-19)22-7-10-6-21-12(15-10)9-4-2-8(3-5-9)11(14)20/h2-6H,7H2,1H3,(H2,14,20)
InChIKeyHSBSLKXEXOCCPW-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.72
Rot. Bonds5

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

4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 60564824) has the molecular formula C13H12N6OS2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID60564824
Molecular FormulaC13H12N6OS2
Molecular Weight332.41 g/mol
Exact Mass332.05
IUPAC Name4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nnnc1SCc1csc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H12N6OS2/c1-19-13(16-17-18-19)22-7-10-6-21-12(15-10)9-4-2-8(3-5-9)11(14)20/h2-6H,7H2,1H3,(H2,14,20)
InChIKeyHSBSLKXEXOCCPW-UHFFFAOYSA-N
XLogP1.72
TPSA99.58 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 8565023
4-[4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60564136
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 47364833
4-[4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60563932
methyl 4-[4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzoate
CID 52848679
3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 43376992
4-[4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 55997389
methyl 4-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzoate
CID 47087866
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 2345699
4-[4-[[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60564988
N-[3-[5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572672
4-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 7474236

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide (CID 60564824) is 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide is Cn1nnnc1SCc1csc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HSBSLKXEXOCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS2/c1-19-13(16-17-18-19)22-7-10-6-21-12(15-10)9-4-2-8(3-5-9)11(14)20/h2-6H,7H2,1H3,(H2,14,20).
What are the key properties of 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide?
4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 60564824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).