2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide

C14H6Cl4N2OS2 — CID 3549072

IUPAC2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H6Cl4N2OS2/c15-6-1-2-9(16)7(3-6)10-5-22-14(19-10)20-13(21)8-4-11(17)23-12(8)18/h1-5H,(H,19,20,21)
InChIKeyJPROUEWHTHJCLL-UHFFFAOYSA-N
MW424.16 g/mol
LogP6.74
Rot. Bonds3

About 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide

2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 3549072) has the molecular formula C14H6Cl4N2OS2 and a molecular weight of 424.16 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID3549072
Molecular FormulaC14H6Cl4N2OS2
Molecular Weight424.16 g/mol
Exact Mass421.87
IUPAC Name2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H6Cl4N2OS2/c15-6-1-2-9(16)7(3-6)10-5-22-14(19-10)20-13(21)8-4-11(17)23-12(8)18/h1-5H,(H,19,20,21)
InChIKeyJPROUEWHTHJCLL-UHFFFAOYSA-N
XLogP6.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.16
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4181945
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833
2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 55535726

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 3549072) is 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is JPROUEWHTHJCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4N2OS2/c15-6-1-2-9(16)7(3-6)10-5-22-14(19-10)20-13(21)8-4-11(17)23-12(8)18/h1-5H,(H,19,20,21).
What are the key properties of 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 424.16 g/mol, XLogP of 6.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 3549072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).