1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone

C15H26N2OS — CID 114011277

IUPAC1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-11(2)6-8-17(9-7-12(3)4)15-16-10-14(19-15)13(5)18/h10-12H,6-9H2,1-5H3
InChIKeyXREGMDRCBQIBBM-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.24
Rot. Bonds8

About 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone

1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 114011277) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID114011277
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-11(2)6-8-17(9-7-12(3)4)15-16-10-14(19-15)13(5)18/h10-12H,6-9H2,1-5H3
InChIKeyXREGMDRCBQIBBM-UHFFFAOYSA-N
XLogP4.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[bis(3-methylbutyl)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-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone (CID 114011277) is 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(CCC(C)C)CCC(C)C)s1.
What is the InChIKey of 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is XREGMDRCBQIBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(2)6-8-17(9-7-12(3)4)15-16-10-14(19-15)13(5)18/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 282.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 114011277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).