3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

C18H13Cl3N2OS — CID 19220952

IUPAC3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C18H13Cl3N2OS/c19-12-4-1-11(2-5-12)3-8-17(24)23-18-22-16(10-25-18)14-7-6-13(20)9-15(14)21/h1-2,4-7,9-10H,3,8H2,(H,22,23,24)
InChIKeyIVZBHCPDODHZRF-UHFFFAOYSA-N
MW411.74 g/mol
LogP6.34
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19220952) has the molecular formula C18H13Cl3N2OS and a molecular weight of 411.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19220952
Molecular FormulaC18H13Cl3N2OS
Molecular Weight411.74 g/mol
Exact Mass409.98
IUPAC Name3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C18H13Cl3N2OS/c19-12-4-1-11(2-5-12)3-8-17(24)23-18-22-16(10-25-18)14-7-6-13(20)9-15(14)21/h1-2,4-7,9-10H,3,8H2,(H,22,23,24)
InChIKeyIVZBHCPDODHZRF-UHFFFAOYSA-N
XLogP6.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.74
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 5152633
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198434
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 78826629

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (CID 19220952) is 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IVZBHCPDODHZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2OS/c19-12-4-1-11(2-5-12)3-8-17(24)23-18-22-16(10-25-18)14-7-6-13(20)9-15(14)21/h1-2,4-7,9-10H,3,8H2,(H,22,23,24).
What are the key properties of 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 411.74 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19220952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).