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

C19H18N2OS — CID 35344742

IUPAC2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2OS/c1-14-7-5-6-10-17(14)18(22)20-12-11-16-13-23-19(21-16)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyPOCIALMQHRDYIG-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.09
Rot. Bonds5

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

2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 35344742) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID35344742
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2OS/c1-14-7-5-6-10-17(14)18(22)20-12-11-16-13-23-19(21-16)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyPOCIALMQHRDYIG-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide
CID 35541456
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213
2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35574090
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
3-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 75554388
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 35573590
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 35344742) is 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is POCIALMQHRDYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-7-5-6-10-17(14)18(22)20-12-11-16-13-23-19(21-16)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 35344742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).