N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C21H13Cl2N3O2S2 — CID 4845975

IUPACN-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H13Cl2N3O2S2/c22-14-5-2-1-4-13(14)17-11-30-21(25-17)26-19(27)12-7-8-15(23)16(10-12)24-20(28)18-6-3-9-29-18/h1-11H,(H,24,28)(H,25,26,27)
InChIKeySVIJVSVJEPCKTJ-UHFFFAOYSA-N
MW474.39 g/mol
LogP6.68
Rot. Bonds5

About N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 4845975) has the molecular formula C21H13Cl2N3O2S2 and a molecular weight of 474.39 g/mol. Its IUPAC name is N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID4845975
Molecular FormulaC21H13Cl2N3O2S2
Molecular Weight474.39 g/mol
Exact Mass472.98
IUPAC NameN-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H13Cl2N3O2S2/c22-14-5-2-1-4-13(14)17-11-30-21(25-17)26-19(27)12-7-8-15(23)16(10-12)24-20(28)18-6-3-9-29-18/h1-11H,(H,24,28)(H,25,26,27)
InChIKeySVIJVSVJEPCKTJ-UHFFFAOYSA-N
XLogP6.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.39
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60576136
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
N-[5-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 2463553
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 167768820
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-[2-chloro-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 4784751
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
CID 4900558
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 4845975) is N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SVIJVSVJEPCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2S2/c22-14-5-2-1-4-13(14)17-11-30-21(25-17)26-19(27)12-7-8-15(23)16(10-12)24-20(28)18-6-3-9-29-18/h1-11H,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 474.39 g/mol, XLogP of 6.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4845975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).