4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one

C9H12N4OS2 — CID 17430537

IUPAC4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCSc1nncn1C
InChIInChI=1S/C9H12N4OS2/c1-7-5-16-9(14)13(7)3-4-15-8-11-10-6-12(8)2/h5-6H,3-4H2,1-2H3
InChIKeyRLVWSHMIJCBOBH-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.14
Rot. Bonds4

About 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one (PubChem CID 17430537) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one
PubChem CID17430537
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCSc1nncn1C
InChIInChI=1S/C9H12N4OS2/c1-7-5-16-9(14)13(7)3-4-15-8-11-10-6-12(8)2/h5-6H,3-4H2,1-2H3
InChIKeyRLVWSHMIJCBOBH-UHFFFAOYSA-N
XLogP1.14
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one (CID 17430537) is 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCSc1nncn1C.
What is the InChIKey of 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one?
The InChIKey is RLVWSHMIJCBOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-7-5-16-9(14)13(7)3-4-15-8-11-10-6-12(8)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one has a molecular weight of 256.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 17430537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).