N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide

C24H23N3O3S — CID 46569043

IUPACN-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)sc2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-15-22(17-8-12-20(30-2)13-9-17)27-24(31-15)26-21(28)14-5-16-3-6-18(7-4-16)23(29)25-19-10-11-19/h3-9,12-14,19H,10-11H2,1-2H3,(H,25,29)(H,26,27,28)/b14-5+
InChIKeyJHVVRPJCAFZSEE-LHHJGKSTSA-N
MW433.53 g/mol
LogP4.67
Rot. Bonds7

About N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide (PubChem CID 46569043) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide
PubChem CID46569043
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)sc2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-15-22(17-8-12-20(30-2)13-9-17)27-24(31-15)26-21(28)14-5-16-3-6-18(7-4-16)23(29)25-19-10-11-19/h3-9,12-14,19H,10-11H2,1-2H3,(H,25,29)(H,26,27,28)/b14-5+
InChIKeyJHVVRPJCAFZSEE-LHHJGKSTSA-N
XLogP4.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7916085
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
CID 46568895
(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 730245
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3702145
(E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 108761118
N-cyclopropyl-4-[(E)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxoprop-1-enyl]benzamide
CID 35505774
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide (CID 46569043) is N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide is COc1ccc(-c2nc(NC(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)sc2C)cc1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is JHVVRPJCAFZSEE-LHHJGKSTSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-22(17-8-12-20(30-2)13-9-17)27-24(31-15)26-21(28)14-5-16-3-6-18(7-4-16)23(29)25-19-10-11-19/h3-9,12-14,19H,10-11H2,1-2H3,(H,25,29)(H,26,27,28)/b14-5+.
What are the key properties of N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 46569043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).