N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide

C19H20Cl2N2OS — CID 58924904

IUPACN-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csc(-c2cccc(Cl)c2Cl)n1)C1CCCCC1
InChIInChI=1S/C19H20Cl2N2OS/c1-2-11-23(13-7-4-3-5-8-13)19(24)16-12-25-18(22-16)14-9-6-10-15(20)17(14)21/h2,6,9-10,12-13H,1,3-5,7-8,11H2
InChIKeyQSDUJERVFSBYGM-UHFFFAOYSA-N
MW395.36 g/mol
LogP6.08
Rot. Bonds5

About N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide

N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide (PubChem CID 58924904) has the molecular formula C19H20Cl2N2OS and a molecular weight of 395.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
PubChem CID58924904
Molecular FormulaC19H20Cl2N2OS
Molecular Weight395.36 g/mol
Exact Mass394.07
IUPAC NameN-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csc(-c2cccc(Cl)c2Cl)n1)C1CCCCC1
InChIInChI=1S/C19H20Cl2N2OS/c1-2-11-23(13-7-4-3-5-8-13)19(24)16-12-25-18(22-16)14-9-6-10-15(20)17(14)21/h2,6,9-10,12-13H,1,3-5,7-8,11H2
InChIKeyQSDUJERVFSBYGM-UHFFFAOYSA-N
XLogP6.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.36
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
CID 3833190
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
CID 58924946
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
CID 158555403
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 122146301
2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 113378374
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
CID 100645896
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260
N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 60959160
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
CID 103621937
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
1-[2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbonyl]azepan-4-one
CID 58924942

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide (CID 58924904) is N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide is C=CCN(C(=O)c1csc(-c2cccc(Cl)c2Cl)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The InChIKey is QSDUJERVFSBYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2OS/c1-2-11-23(13-7-4-3-5-8-13)19(24)16-12-25-18(22-16)14-9-6-10-15(20)17(14)21/h2,6,9-10,12-13H,1,3-5,7-8,11H2.
What are the key properties of N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58924904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).