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

C24H12Cl4N4O2S3 — CID 5121730

IUPAC2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)s1
InChIInChI=1S/C24H12Cl4N4O2S3/c25-13-3-1-11(7-15(13)27)17-9-35-23(29-17)31-21(33)19-5-6-20(37-19)22(34)32-24-30-18(10-36-24)12-2-4-14(26)16(28)8-12/h1-10H,(H,29,31,33)(H,30,32,34)
InChIKeyFQCPPNLUMATURG-UHFFFAOYSA-N
MW626.40 g/mol
LogP9.11
Rot. Bonds6

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

2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide (PubChem CID 5121730) has the molecular formula C24H12Cl4N4O2S3 and a molecular weight of 626.40 g/mol. Its IUPAC name is 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
PubChem CID5121730
Molecular FormulaC24H12Cl4N4O2S3
Molecular Weight626.40 g/mol
Exact Mass623.89
IUPAC Name2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)s1
InChIInChI=1S/C24H12Cl4N4O2S3/c25-13-3-1-11(7-15(13)27)17-9-35-23(29-17)31-21(33)19-5-6-20(37-19)22(34)32-24-30-18(10-36-24)12-2-4-14(26)16(28)8-12/h1-10H,(H,29,31,33)(H,30,32,34)
InChIKeyFQCPPNLUMATURG-UHFFFAOYSA-N
XLogP9.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.40
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 844119
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
5-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 16549476
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 4200583
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide (CID 5121730) is 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide is O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)s1.
What is the InChIKey of 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The InChIKey is FQCPPNLUMATURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl4N4O2S3/c25-13-3-1-11(7-15(13)27)17-9-35-23(29-17)31-21(33)19-5-6-20(37-19)22(34)32-24-30-18(10-36-24)12-2-4-14(26)16(28)8-12/h1-10H,(H,29,31,33)(H,30,32,34).
What are the key properties of 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide has a molecular weight of 626.40 g/mol, XLogP of 9.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 5121730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).