(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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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone
CID 86715632
2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone
CID 131057776
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065
3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 67269497
(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 130640569
N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43389612
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
N-cyclopentyl-N-cyclopropyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 52575786
N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
CID 130610590

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).