4-methyl-2-(tetrazol-1-yl)-1,3-thiazole

C5H5N5S — CID 118649476

IUPAC4-methyl-2-(tetrazol-1-yl)-1,3-thiazole
SMILESCc1csc(-n2cnnn2)n1
InChIInChI=1S/C5H5N5S/c1-4-2-11-5(7-4)10-3-6-8-9-10/h2-3H,1H3
InChIKeyLZMPFYUPZBMXNW-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.43
Rot. Bonds1

About 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole

4-methyl-2-(tetrazol-1-yl)-1,3-thiazole (PubChem CID 118649476) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(tetrazol-1-yl)-1,3-thiazole
PubChem CID118649476
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name4-methyl-2-(tetrazol-1-yl)-1,3-thiazole
SMILESCc1csc(-n2cnnn2)n1
InChIInChI=1S/C5H5N5S/c1-4-2-11-5(7-4)10-3-6-8-9-10/h2-3H,1H3
InChIKeyLZMPFYUPZBMXNW-UHFFFAOYSA-N
XLogP0.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole (CID 118649476) is 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole is Cc1csc(-n2cnnn2)n1.
What is the InChIKey of 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole?
The InChIKey is LZMPFYUPZBMXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c1-4-2-11-5(7-4)10-3-6-8-9-10/h2-3H,1H3.
What are the key properties of 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole?
4-methyl-2-(tetrazol-1-yl)-1,3-thiazole has a molecular weight of 167.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(tetrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 118649476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).