2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide

C15H18ClN3OS — CID 39084569

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)8-7-17-14(20)9-13-10-21-15(18-13)11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyVSVHTIRANYQLBO-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.68
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 39084569) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID39084569
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)8-7-17-14(20)9-13-10-21-15(18-13)11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyVSVHTIRANYQLBO-UHFFFAOYSA-N
XLogP2.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 39084569) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is VSVHTIRANYQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-19(2)8-7-17-14(20)9-13-10-21-15(18-13)11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 323.85 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 39084569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).