3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

C14H14Cl2N2OS — CID 110395079

IUPAC3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H14Cl2N2OS/c1-8-13(20-9(2)18-8)5-6-17-14(19)10-3-4-11(15)12(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyCVLPBTHVQMNSCR-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.04
Rot. Bonds4

About 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110395079) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110395079
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H14Cl2N2OS/c1-8-13(20-9(2)18-8)5-6-17-14(19)10-3-4-11(15)12(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyCVLPBTHVQMNSCR-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395099
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 110395079) is 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(C)c(CCNC(=O)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is CVLPBTHVQMNSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-8-13(20-9(2)18-8)5-6-17-14(19)10-3-4-11(15)12(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 329.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110395079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).