2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone

C9H10N4OS — CID 114685745

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
SMILESCc1csc(CC(=O)c2cnnn2C)n1
InChIInChI=1S/C9H10N4OS/c1-6-5-15-9(11-6)3-8(14)7-4-10-12-13(7)2/h4-5H,3H2,1-2H3
InChIKeyMGCAEVHRZQGUQZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.01
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone

2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone (PubChem CID 114685745) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
PubChem CID114685745
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
SMILESCc1csc(CC(=O)c2cnnn2C)n1
InChIInChI=1S/C9H10N4OS/c1-6-5-15-9(11-6)3-8(14)7-4-10-12-13(7)2/h4-5H,3H2,1-2H3
InChIKeyMGCAEVHRZQGUQZ-UHFFFAOYSA-N
XLogP1.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 114639858
2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685716
1-(3-methyltriazol-4-yl)propan-1-one
CID 114685623
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
CID 131842856
CID 131842856
1-(5-bromo-3-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 112731549
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 63948149
1-(2,4-dihydroxy-5-pentylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 4005972
2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone
CID 63975439
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone (CID 114685745) is 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone is Cc1csc(CC(=O)c2cnnn2C)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone?
The InChIKey is MGCAEVHRZQGUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-5-15-9(11-6)3-8(14)7-4-10-12-13(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone?
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone has a molecular weight of 222.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 114685745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).