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

C9H10N4OS — CID 86715632

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1nc(C)c(C(=O)c2cnnn2C)s1
InChIInChI=1S/C9H10N4OS/c1-5-9(15-6(2)11-5)8(14)7-4-10-12-13(7)3/h4H,1-3H3
InChIKeyQTKNVVBZXQHSJF-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.12
Rot. Bonds2

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

(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone (PubChem CID 86715632) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone
PubChem CID86715632
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1nc(C)c(C(=O)c2cnnn2C)s1
InChIInChI=1S/C9H10N4OS/c1-5-9(15-6(2)11-5)8(14)7-4-10-12-13(7)3/h4H,1-3H3
InChIKeyQTKNVVBZXQHSJF-UHFFFAOYSA-N
XLogP1.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone
CID 115806752
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone
CID 130979221
(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone
CID 115806862
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 100694661
(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 130640569
(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 115806610
(2-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 114686077
(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 105131453
N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
CID 130610590
2,3-dihydro-1H-isoindol-5-yl-(3-methyltriazol-4-yl)methanone
CID 114692378

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone (CID 86715632) is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone is Cc1nc(C)c(C(=O)c2cnnn2C)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is QTKNVVBZXQHSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-9(15-6(2)11-5)8(14)7-4-10-12-13(7)3/h4H,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 222.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 86715632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).