4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole

C10H9N5S3 — CID 18708140

IUPAC4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2-c2ccc(C)s2)n1
InChIInChI=1S/C10H9N5S3/c1-6-5-16-10(11-6)18-9-12-13-14-15(9)8-4-3-7(2)17-8/h3-5H,1-2H3
InChIKeyAQUKOEHLPNZSSJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole

4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole (PubChem CID 18708140) has the molecular formula C10H9N5S3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole
PubChem CID18708140
Molecular FormulaC10H9N5S3
Molecular Weight295.42 g/mol
Exact Mass295.00
IUPAC Name4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2-c2ccc(C)s2)n1
InChIInChI=1S/C10H9N5S3/c1-6-5-16-10(11-6)18-9-12-13-14-15(9)8-4-3-7(2)17-8/h3-5H,1-2H3
InChIKeyAQUKOEHLPNZSSJ-UHFFFAOYSA-N
XLogP2.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole (CID 18708140) is 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole is Cc1csc(Sc2nnnn2-c2ccc(C)s2)n1.
What is the InChIKey of 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The InChIKey is AQUKOEHLPNZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S3/c1-6-5-16-10(11-6)18-9-12-13-14-15(9)8-4-3-7(2)17-8/h3-5H,1-2H3.
What are the key properties of 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole has a molecular weight of 295.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).