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

C14H15ClN2OS — CID 7222724

IUPAC3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9-13(19-10(2)17-9)6-7-16-14(18)11-4-3-5-12(15)8-11/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyMLTDTHNVGJXBTQ-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.39
Rot. Bonds4

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

3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 7222724) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID7222724
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9-13(19-10(2)17-9)6-7-16-14(18)11-4-3-5-12(15)8-11/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyMLTDTHNVGJXBTQ-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 7222724) is 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(C)c(CCNC(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is MLTDTHNVGJXBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-13(19-10(2)17-9)6-7-16-14(18)11-4-3-5-12(15)8-11/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 7222724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).