2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C14H8Cl2N2OS2 — CID 4200224

IUPAC2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2N2OS2/c15-8-3-4-10(16)9(6-8)13(19)18-14-17-11(7-21-14)12-2-1-5-20-12/h1-7H,(H,17,18,19)
InChIKeyUYPDQAUKTNIGAY-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.43
Rot. Bonds3

About 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4200224) has the molecular formula C14H8Cl2N2OS2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4200224
Molecular FormulaC14H8Cl2N2OS2
Molecular Weight355.27 g/mol
Exact Mass353.95
IUPAC Name2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2N2OS2/c15-8-3-4-10(16)9(6-8)13(19)18-14-17-11(7-21-14)12-2-1-5-20-12/h1-7H,(H,17,18,19)
InChIKeyUYPDQAUKTNIGAY-UHFFFAOYSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 55335471
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774
N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 854639
2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 3549072
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 4200224) is 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is UYPDQAUKTNIGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS2/c15-8-3-4-10(16)9(6-8)13(19)18-14-17-11(7-21-14)12-2-1-5-20-12/h1-7H,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 355.27 g/mol, XLogP of 5.43, 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-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4200224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).