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

C16H14N2OS — CID 118732495

IUPAC1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
InChIInChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18)
InChIKeyCELUMPGHYUOWHA-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.55
Rot. Bonds3

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

1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 118732495) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID118732495
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
InChIInChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18)
InChIKeyCELUMPGHYUOWHA-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-(naphthalen-2-ylamino)-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

Related Compounds

2-Phenylamino-4-methyl-5-acetylthiazole
CID 735838
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814022
4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 692856
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
1-{4-Methyl-2-[(3-methylphenyl)amino]-1,3-thiazol-5-yl}ethan-1-one
CID 1485160
2-Chloro-4-Methyl-N-(Naphthalen-2-Yl)-1,3-Thiazole-5-Carboxamide
CID 850573
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
1-{3-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenyl}ethanone hydrobromide
CID 2877625

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone (CID 118732495) is 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is CELUMPGHYUOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18).
What are the key properties of 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 282.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 118732495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).