(4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone

C8H8N4OS — CID 130530279

IUPAC(4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCc1ncsc1C(=O)c1ncnn1C
InChIInChI=1S/C8H8N4OS/c1-5-7(14-4-10-5)6(13)8-9-3-11-12(8)2/h3-4H,1-2H3
InChIKeyKXCSAWQSEIGNEV-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.81
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone

(4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 130530279) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID130530279
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCc1ncsc1C(=O)c1ncnn1C
InChIInChI=1S/C8H8N4OS/c1-5-7(14-4-10-5)6(13)8-9-3-11-12(8)2/h3-4H,1-2H3
InChIKeyKXCSAWQSEIGNEV-UHFFFAOYSA-N
XLogP0.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130530261
(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 105095190
N-[2-[[N-ethyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111705245
1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-one
CID 105108266
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105110681
(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 106883197
(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130529494
(2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone
CID 130572977
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 130948721
2-methyl-3-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanal
CID 174781846
4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-4-en-1-one
CID 105129903
(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one
CID 10867230

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone (CID 130530279) is (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone is Cc1ncsc1C(=O)c1ncnn1C.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is KXCSAWQSEIGNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-7(14-4-10-5)6(13)8-9-3-11-12(8)2/h3-4H,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
(4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 208.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 130530279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).