4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole

C11H9N5S2 — CID 18708988

IUPAC4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H9N5S2/c1-8-7-17-11(12-8)18-10-13-14-15-16(10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMESKUOAQBSKSBT-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.58
Rot. Bonds3

About 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole

4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18708988) has the molecular formula C11H9N5S2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18708988
Molecular FormulaC11H9N5S2
Molecular Weight275.36 g/mol
Exact Mass275.03
IUPAC Name4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H9N5S2/c1-8-7-17-11(12-8)18-10-13-14-15-16(10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMESKUOAQBSKSBT-UHFFFAOYSA-N
XLogP2.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18708988) is 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole is Cc1csc(Sc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is MESKUOAQBSKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S2/c1-8-7-17-11(12-8)18-10-13-14-15-16(10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 275.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).