N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide

C20H19ClN2OS — CID 7503053

IUPACN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C20H19ClN2OS/c1-13-5-3-4-6-17(13)19(24)22-12-11-18-14(2)23-20(25-18)15-7-9-16(21)10-8-15/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyZVISGQRBPCYDQB-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.05
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide (PubChem CID 7503053) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
PubChem CID7503053
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C20H19ClN2OS/c1-13-5-3-4-6-17(13)19(24)22-12-11-18-14(2)23-20(25-18)15-7-9-16(21)10-8-15/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyZVISGQRBPCYDQB-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide (CID 7503053) is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide?
The InChIKey is ZVISGQRBPCYDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-13-5-3-4-6-17(13)19(24)22-12-11-18-14(2)23-20(25-18)15-7-9-16(21)10-8-15/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide?
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide has a molecular weight of 370.91 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 7503053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).