3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide

C18H13Cl3N2OS — CID 70903593

IUPAC3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide
SMILESCC(NC(=O)c1snc(Cl)c1Cl)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13Cl3N2OS/c1-10(22-18(24)16-15(20)17(21)23-25-16)11-2-4-12(5-3-11)13-6-8-14(19)9-7-13/h2-10H,1H3,(H,22,24)
InChIKeyJGVVUCWNWOYYLZ-UHFFFAOYSA-N
MW411.74 g/mol
LogP6.26
Rot. Bonds4

About 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide

3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide (PubChem CID 70903593) has the molecular formula C18H13Cl3N2OS and a molecular weight of 411.74 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide
PubChem CID70903593
Molecular FormulaC18H13Cl3N2OS
Molecular Weight411.74 g/mol
Exact Mass409.98
IUPAC Name3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide
SMILESCC(NC(=O)c1snc(Cl)c1Cl)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13Cl3N2OS/c1-10(22-18(24)16-15(20)17(21)23-25-16)11-2-4-12(5-3-11)13-6-8-14(19)9-7-13/h2-10H,1H3,(H,22,24)
InChIKeyJGVVUCWNWOYYLZ-UHFFFAOYSA-N
XLogP6.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.74
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide
CID 70245298
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100750325
4-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 100751426
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288
3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide
CID 59098172
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide (CID 70903593) is 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide is CC(NC(=O)c1snc(Cl)c1Cl)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide?
The InChIKey is JGVVUCWNWOYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2OS/c1-10(22-18(24)16-15(20)17(21)23-25-16)11-2-4-12(5-3-11)13-6-8-14(19)9-7-13/h2-10H,1H3,(H,22,24).
What are the key properties of 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide has a molecular weight of 411.74 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 70903593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).