1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one

C15H18N2OS — CID 112677450

IUPAC1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1scnc1C
InChIInChI=1S/C15H18N2OS/c1-4-14(18)12-7-5-6-8-13(12)17(3)9-15-11(2)16-10-19-15/h5-8,10H,4,9H2,1-3H3
InChIKeyNQFFNQPZVQHQKL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.68
Rot. Bonds5

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

1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one (PubChem CID 112677450) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
PubChem CID112677450
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1scnc1C
InChIInChI=1S/C15H18N2OS/c1-4-14(18)12-7-5-6-8-13(12)17(3)9-15-11(2)16-10-19-15/h5-8,10H,4,9H2,1-3H3
InChIKeyNQFFNQPZVQHQKL-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
2-fluoro-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzoic acid
CID 79512320
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
CID 114288707
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-nitroaniline
CID 113459308
2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
4-amino-N,N-dimethyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzamide
CID 63841906
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]benzoic acid
CID 63837681
2-(2-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78952141

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one (CID 112677450) is 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(C)Cc1scnc1C.
What is the InChIKey of 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one?
The InChIKey is NQFFNQPZVQHQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-14(18)12-7-5-6-8-13(12)17(3)9-15-11(2)16-10-19-15/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one?
1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one has a molecular weight of 274.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one is sourced from PubChem (CID 112677450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).