2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one

C8H9N3OS2 — CID 131114975

IUPAC2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one
SMILESCN(Cc1nccs1)C1=NC(=O)CS1
InChIInChI=1S/C8H9N3OS2/c1-11(4-7-9-2-3-13-7)8-10-6(12)5-14-8/h2-3H,4-5H2,1H3
InChIKeyNRWTWAHLASAGJG-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.20
Rot. Bonds2

About 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one

2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one (PubChem CID 131114975) has the molecular formula C8H9N3OS2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one
PubChem CID131114975
Molecular FormulaC8H9N3OS2
Molecular Weight227.31 g/mol
Exact Mass227.02
IUPAC Name2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one
SMILESCN(Cc1nccs1)C1=NC(=O)CS1
InChIInChI=1S/C8H9N3OS2/c1-11(4-7-9-2-3-13-7)8-10-6(12)5-14-8/h2-3H,4-5H2,1H3
InChIKeyNRWTWAHLASAGJG-UHFFFAOYSA-N
XLogP1.20
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one?
The IUPAC name of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one (CID 131114975) is 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one?
The canonical SMILES for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one is CN(Cc1nccs1)C1=NC(=O)CS1.
What is the InChIKey of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one?
The InChIKey is NRWTWAHLASAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS2/c1-11(4-7-9-2-3-13-7)8-10-6(12)5-14-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one?
2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one has a molecular weight of 227.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one is sourced from PubChem (CID 131114975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).