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

C20H19N3O2S — CID 87050229

IUPACN-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCc1csc(-c2ccc(CNC(=O)CNC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O2S/c1-14-13-26-20(23-14)17-9-7-15(8-10-17)11-21-18(24)12-22-19(25)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyNZKFNRQEGQTWQM-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.16
Rot. Bonds6

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

N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 87050229) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID87050229
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCc1csc(-c2ccc(CNC(=O)CNC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O2S/c1-14-13-26-20(23-14)17-9-7-15(8-10-17)11-21-18(24)12-22-19(25)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyNZKFNRQEGQTWQM-UHFFFAOYSA-N
XLogP3.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 87050246
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
CID 108762330
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 87050229) is N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide is Cc1csc(-c2ccc(CNC(=O)CNC(=O)c3ccccc3)cc2)n1.
What is the InChIKey of N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is NZKFNRQEGQTWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-13-26-20(23-14)17-9-7-15(8-10-17)11-21-18(24)12-22-19(25)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide?
N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 87050229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).