4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide

C20H15Cl2N3O2S — CID 112763465

IUPAC4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H15Cl2N3O2S/c21-13-5-8-15(16(22)9-13)17-10-28-20(24-17)25-19(27)12-3-6-14(7-4-12)23-18(26)11-1-2-11/h3-11H,1-2H2,(H,23,26)(H,24,25,27)
InChIKeyJMLATEOAPFYTDN-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.72
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide

4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 112763465) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID112763465
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H15Cl2N3O2S/c21-13-5-8-15(16(22)9-13)17-10-28-20(24-17)25-19(27)12-3-6-14(7-4-12)23-18(26)11-1-2-11/h3-11H,1-2H2,(H,23,26)(H,24,25,27)
InChIKeyJMLATEOAPFYTDN-UHFFFAOYSA-N
XLogP5.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712134
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30289420
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
(1R,2R,3S,4S)-3-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 26779366
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,6-dimethylcyclohexane-1-carboxylic acid
CID 123524297
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55649325
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5105347

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide (CID 112763465) is 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JMLATEOAPFYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c21-13-5-8-15(16(22)9-13)17-10-28-20(24-17)25-19(27)12-3-6-14(7-4-12)23-18(26)11-1-2-11/h3-11H,1-2H2,(H,23,26)(H,24,25,27).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 432.33 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 112763465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).