N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

C20H23N3O2S — CID 155516831

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H23N3O2S/c1-2-19(25)23(13-18(24)21-16-11-7-4-8-12-16)20-22-17(14-26-20)15-9-5-3-6-10-15/h2-3,5-6,9-10,14,16H,1,4,7-8,11-13H2,(H,21,24)
InChIKeyWBPYFWVPZZCXQW-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 155516831) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID155516831
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H23N3O2S/c1-2-19(25)23(13-18(24)21-16-11-7-4-8-12-16)20-22-17(14-26-20)15-9-5-3-6-10-15/h2-3,5-6,9-10,14,16H,1,4,7-8,11-13H2,(H,21,24)
InChIKeyWBPYFWVPZZCXQW-UHFFFAOYSA-N
XLogP3.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
L 006235
CID 9912381
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
H3B-120
CID 132355378
2-Cinnamamido-4-phenylthiazole
CID 690181
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
(R,S)-4-methyl-2-[3''-(2-piperazin-1-yl-thiazol-4-yl)-biphenyl-3-yl]-pentanoic acid cyanomethyl-amide
CID 9891030
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-benzyl-oxalamide
CID 3732532
(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
CID 23646351
3-(4-Phenyl-1,3-thiazol-2-yl)-2-thioxo-4-imidazolidinone
CID 899465

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 155516831) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is WBPYFWVPZZCXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-19(25)23(13-18(24)21-16-11-7-4-8-12-16)20-22-17(14-26-20)15-9-5-3-6-10-15/h2-3,5-6,9-10,14,16H,1,4,7-8,11-13H2,(H,21,24).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 369.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 155516831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).