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

C11H4Cl3N3OS — CID 3781229

IUPAC3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C11H4Cl3N3OS/c12-6-2-1-5(3-7(6)13)10(18)17-11-16-9(14)8(4-15)19-11/h1-3H,(H,16,17,18)
InChIKeyNNTFCSKVNDIFRE-UHFFFAOYSA-N
MW332.60 g/mol
LogP4.23
Rot. Bonds2

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

3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide (PubChem CID 3781229) has the molecular formula C11H4Cl3N3OS and a molecular weight of 332.60 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide
PubChem CID3781229
Molecular FormulaC11H4Cl3N3OS
Molecular Weight332.60 g/mol
Exact Mass330.91
IUPAC Name3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C11H4Cl3N3OS/c12-6-2-1-5(3-7(6)13)10(18)17-11-16-9(14)8(4-15)19-11/h1-3H,(H,16,17,18)
InChIKeyNNTFCSKVNDIFRE-UHFFFAOYSA-N
XLogP4.23
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 135491768
3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2994551
N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 74892449
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 151692836
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide (CID 3781229) is 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide is N#Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1Cl.
What is the InChIKey of 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide?
The InChIKey is NNTFCSKVNDIFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3N3OS/c12-6-2-1-5(3-7(6)13)10(18)17-11-16-9(14)8(4-15)19-11/h1-3H,(H,16,17,18).
What are the key properties of 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide?
3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide has a molecular weight of 332.60 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3781229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).