4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole

C14H15N5OS2 — CID 2608909

IUPAC4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCc1csc(C)n1
InChIInChI=1S/C14H15N5OS2/c1-9-4-5-13(20-3)12(6-9)19-14(16-17-18-19)22-8-11-7-21-10(2)15-11/h4-7H,8H2,1-3H3
InChIKeyYSQFAIQKCHQLMT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.04
Rot. Bonds5

About 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole

4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole (PubChem CID 2608909) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
PubChem CID2608909
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCc1csc(C)n1
InChIInChI=1S/C14H15N5OS2/c1-9-4-5-13(20-3)12(6-9)19-14(16-17-18-19)22-8-11-7-21-10(2)15-11/h4-7H,8H2,1-3H3
InChIKeyYSQFAIQKCHQLMT-UHFFFAOYSA-N
XLogP3.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole (CID 2608909) is 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole is COc1ccc(C)cc1-n1nnnc1SCc1csc(C)n1.
What is the InChIKey of 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is YSQFAIQKCHQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-9-4-5-13(20-3)12(6-9)19-14(16-17-18-19)22-8-11-7-21-10(2)15-11/h4-7H,8H2,1-3H3.
What are the key properties of 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole?
4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 333.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 2608909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).