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

C6H7N5S2 — CID 18707601

IUPAC4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2C)n1
InChIInChI=1S/C6H7N5S2/c1-4-3-12-6(7-4)13-5-8-9-10-11(5)2/h3H,1-2H3
InChIKeyGUDQWGPAVPJVLG-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.13
Rot. Bonds2

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

4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18707601) has the molecular formula C6H7N5S2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18707601
Molecular FormulaC6H7N5S2
Molecular Weight213.29 g/mol
Exact Mass213.01
IUPAC Name4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCc1csc(Sc2nnnn2C)n1
InChIInChI=1S/C6H7N5S2/c1-4-3-12-6(7-4)13-5-8-9-10-11(5)2/h3H,1-2H3
InChIKeyGUDQWGPAVPJVLG-UHFFFAOYSA-N
XLogP1.13
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.13
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-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18707601) is 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is Cc1csc(Sc2nnnn2C)n1.
What is the InChIKey of 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is GUDQWGPAVPJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S2/c1-4-3-12-6(7-4)13-5-8-9-10-11(5)2/h3H,1-2H3.
What are the key properties of 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 213.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18707601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).