N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide

C16H18N2OS — CID 167992847

IUPACN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C
InChIInChI=1S/C16H18N2OS/c1-5-14(19)17-11(3)15-12(4)18-16(20-15)13-8-6-10(2)7-9-13/h5-9,11H,1H2,2-4H3,(H,17,19)
InChIKeyXKJRTRRXGGAWPK-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.79
Rot. Bonds4

About N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide (PubChem CID 167992847) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide
PubChem CID167992847
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C
InChIInChI=1S/C16H18N2OS/c1-5-14(19)17-11(3)15-12(4)18-16(20-15)13-8-6-10(2)7-9-13/h5-9,11H,1H2,2-4H3,(H,17,19)
InChIKeyXKJRTRRXGGAWPK-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
CID 119779776
N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide
CID 95616290
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
3-amino-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779757
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
4-amino-3-methoxy-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 120591992
(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 124594864
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119321373
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
2-hydroxy-N-[(1R)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 99834592
3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 99812966
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119778537

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide (CID 167992847) is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide is C=CC(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C.
What is the InChIKey of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide?
The InChIKey is XKJRTRRXGGAWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-5-14(19)17-11(3)15-12(4)18-16(20-15)13-8-6-10(2)7-9-13/h5-9,11H,1H2,2-4H3,(H,17,19).
What are the key properties of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide?
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide has a molecular weight of 286.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 167992847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).