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

C8H11N5S2 — CID 18708380

IUPAC4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2C(C)C)n1
InChIInChI=1S/C8H11N5S2/c1-5(2)13-7(10-11-12-13)15-8-9-6(3)4-14-8/h4-5H,1-3H3
InChIKeyHBXXQPRGVZUSNH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.17
Rot. Bonds3

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

4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18708380) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18708380
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2C(C)C)n1
InChIInChI=1S/C8H11N5S2/c1-5(2)13-7(10-11-12-13)15-8-9-6(3)4-14-8/h4-5H,1-3H3
InChIKeyHBXXQPRGVZUSNH-UHFFFAOYSA-N
XLogP2.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.17
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-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18708380) is 4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole is Cc1csc(Sc2nnnn2C(C)C)n1.
What is the InChIKey of 4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is HBXXQPRGVZUSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-5(2)13-7(10-11-12-13)15-8-9-6(3)4-14-8/h4-5H,1-3H3.
What are the key properties of 4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 241.34 g/mol, XLogP of 2.17, 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-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).