(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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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).