(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone

C8H9N5OS — CID 130979221

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)c2nnn(C)n2)s1
InChIInChI=1S/C8H9N5OS/c1-4-7(15-5(2)9-4)6(14)8-10-12-13(3)11-8/h1-3H3
InChIKeyVAIBKNODHMPMAO-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.51
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130979221) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130979221
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)c2nnn(C)n2)s1
InChIInChI=1S/C8H9N5OS/c1-4-7(15-5(2)9-4)6(14)8-10-12-13(3)11-8/h1-3H3
InChIKeyVAIBKNODHMPMAO-UHFFFAOYSA-N
XLogP0.51
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone (CID 130979221) is (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone is Cc1nc(C)c(C(=O)c2nnn(C)n2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is VAIBKNODHMPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-4-7(15-5(2)9-4)6(14)8-10-12-13(3)11-8/h1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 223.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130979221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).