2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide

C20H17Cl2N3O2S — CID 78897550

IUPAC2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1-c1csc(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C20H17Cl2N3O2S/c1-11-6-3-4-7-13(11)16-10-28-20(24-16)25-18(26)12(2)23-19(27)14-8-5-9-15(21)17(14)22/h3-10,12H,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyJPBHZFZCZSVKPM-UHFFFAOYSA-N
MW434.35 g/mol
LogP5.18
Rot. Bonds5

About 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 78897550) has the molecular formula C20H17Cl2N3O2S and a molecular weight of 434.35 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID78897550
Molecular FormulaC20H17Cl2N3O2S
Molecular Weight434.35 g/mol
Exact Mass433.04
IUPAC Name2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1-c1csc(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C20H17Cl2N3O2S/c1-11-6-3-4-7-13(11)16-10-28-20(24-16)25-18(26)12(2)23-19(27)14-8-5-9-15(21)17(14)22/h3-10,12H,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyJPBHZFZCZSVKPM-UHFFFAOYSA-N
XLogP5.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.35
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 55791886
N-[3-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18900356
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 24570788
2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide
CID 71904435
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 112771358
(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119711400
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
CID 55788954

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide (CID 78897550) is 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide is Cc1ccccc1-c1csc(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is JPBHZFZCZSVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2S/c1-11-6-3-4-7-13(11)16-10-28-20(24-16)25-18(26)12(2)23-19(27)14-8-5-9-15(21)17(14)22/h3-10,12H,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 434.35 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 78897550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).