2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide

C13H11Cl2N3O2S — CID 43078049

IUPAC2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CCc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C13H11Cl2N3O2S/c14-8-3-1-2-7(11(8)15)4-5-10(19)18-13-17-6-9(21-13)12(16)20/h1-3,6H,4-5H2,(H2,16,20)(H,17,18,19)
InChIKeyHXUCVLVOHXKWOV-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.12
Rot. Bonds5

About 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide

2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 43078049) has the molecular formula C13H11Cl2N3O2S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide
PubChem CID43078049
Molecular FormulaC13H11Cl2N3O2S
Molecular Weight344.22 g/mol
Exact Mass342.99
IUPAC Name2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CCc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C13H11Cl2N3O2S/c14-8-3-1-2-7(11(8)15)4-5-10(19)18-13-17-6-9(21-13)12(16)20/h1-3,6H,4-5H2,(H2,16,20)(H,17,18,19)
InChIKeyHXUCVLVOHXKWOV-UHFFFAOYSA-N
XLogP3.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide
CID 78828249
2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
CID 78884701
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 78828454
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
CID 78828524
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
CID 38939684
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
2-(pyridine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 22262890
N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257808

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide (CID 43078049) is 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)CCc2cccc(Cl)c2Cl)s1.
What is the InChIKey of 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is HXUCVLVOHXKWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2S/c14-8-3-1-2-7(11(8)15)4-5-10(19)18-13-17-6-9(21-13)12(16)20/h1-3,6H,4-5H2,(H2,16,20)(H,17,18,19).
What are the key properties of 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide?
2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 344.22 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43078049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).