3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

C24H23N3O2S — CID 55666595

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(NC(=O)C2CC2C)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H23N3O2S/c1-3-12-27(24-26-21(15-30-24)17-8-5-4-6-9-17)23(29)18-10-7-11-19(14-18)25-22(28)20-13-16(20)2/h3-11,14-16,20H,1,12-13H2,2H3,(H,25,28)
InChIKeyODGAALHNHPKXTJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.24
Rot. Bonds7

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 55666595) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
PubChem CID55666595
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(NC(=O)C2CC2C)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H23N3O2S/c1-3-12-27(24-26-21(15-30-24)17-8-5-4-6-9-17)23(29)18-10-7-11-19(14-18)25-22(28)20-13-16(20)2/h3-11,14-16,20H,1,12-13H2,2H3,(H,25,28)
InChIKeyODGAALHNHPKXTJ-UHFFFAOYSA-N
XLogP5.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
3-benzamido-4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55630363
methyl N-[4-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]phenyl]carbamate
CID 39992831
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086
3-(phenylcarbamoylamino)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
CID 55340540
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 24591343
6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 134016011
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
methyl 3-nitro-5-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]benzoate
CID 26212430
N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide
CID 55787443

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (CID 55666595) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cccc(NC(=O)C2CC2C)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is ODGAALHNHPKXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-12-27(24-26-21(15-30-24)17-8-5-4-6-9-17)23(29)18-10-7-11-19(14-18)25-22(28)20-13-16(20)2/h3-11,14-16,20H,1,12-13H2,2H3,(H,25,28).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 55666595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).