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

C13H12Cl2N2OS — CID 110715983

IUPAC3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCN(CCc1nccs1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2OS/c1-17(6-4-12-16-5-7-19-12)13(18)9-2-3-10(14)11(15)8-9/h2-3,5,7-8H,4,6H2,1H3
InChIKeySLCIDKGLSVOAAF-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.76
Rot. Bonds4

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

3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110715983) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110715983
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCN(CCc1nccs1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2OS/c1-17(6-4-12-16-5-7-19-12)13(18)9-2-3-10(14)11(15)8-9/h2-3,5,7-8H,4,6H2,1H3
InChIKeySLCIDKGLSVOAAF-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110742660
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
2-(2-chlorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716038
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75387967
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 136530583
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride
CID 154752113
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
4-chloro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046946
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 110715983) is 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is CN(CCc1nccs1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is SLCIDKGLSVOAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-17(6-4-12-16-5-7-19-12)13(18)9-2-3-10(14)11(15)8-9/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 315.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110715983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).