1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone

C11H13N3OS2 — CID 62750803

IUPAC1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2csc(C)n2)s1
InChIInChI=1S/C11H13N3OS2/c1-7(15)10-4-12-11(17-10)14(3)5-9-6-16-8(2)13-9/h4,6H,5H2,1-3H3
InChIKeyNBQAVKIZIWEXCM-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone

1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 62750803) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
PubChem CID62750803
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2csc(C)n2)s1
InChIInChI=1S/C11H13N3OS2/c1-7(15)10-4-12-11(17-10)14(3)5-9-6-16-8(2)13-9/h4,6H,5H2,1-3H3
InChIKeyNBQAVKIZIWEXCM-UHFFFAOYSA-N
XLogP2.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (CID 62750803) is 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)Cc2csc(C)n2)s1.
What is the InChIKey of 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is NBQAVKIZIWEXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-7(15)10-4-12-11(17-10)14(3)5-9-6-16-8(2)13-9/h4,6H,5H2,1-3H3.
What are the key properties of 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 267.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).