3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

C18H15Cl2N3O2S2 — CID 43038764

IUPAC3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1
InChIInChI=1S/C18H15Cl2N3O2S2/c1-10(24)21-14(16-3-2-6-26-16)8-17(25)23-18-22-15(9-27-18)12-5-4-11(19)7-13(12)20/h2-7,9,14H,8H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyCYFVWVDTKHFURL-UHFFFAOYSA-N
MW440.38 g/mol
LogP5.38
Rot. Bonds6

About 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 43038764) has the molecular formula C18H15Cl2N3O2S2 and a molecular weight of 440.38 g/mol. Its IUPAC name is 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID43038764
Molecular FormulaC18H15Cl2N3O2S2
Molecular Weight440.38 g/mol
Exact Mass439.00
IUPAC Name3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1
InChIInChI=1S/C18H15Cl2N3O2S2/c1-10(24)21-14(16-3-2-6-26-16)8-17(25)23-18-22-15(9-27-18)12-5-4-11(19)7-13(12)20/h2-7,9,14H,8H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyCYFVWVDTKHFURL-UHFFFAOYSA-N
XLogP5.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55655642
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55487188
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
(3R)-3-acetamido-N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 41406312
3-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55493747
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
(3R)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 41358102
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (CID 43038764) is 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1.
What is the InChIKey of 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is CYFVWVDTKHFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S2/c1-10(24)21-14(16-3-2-6-26-16)8-17(25)23-18-22-15(9-27-18)12-5-4-11(19)7-13(12)20/h2-7,9,14H,8H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 440.38 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 43038764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).