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

C15H17N3O2S — CID 110443135

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1nc(CNC(=O)CNC(=O)c2ccccc2)sc1C
InChIInChI=1S/C15H17N3O2S/c1-10-11(2)21-14(18-10)9-16-13(19)8-17-15(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyBEPZOZKPUNDZLM-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.81
Rot. Bonds5

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

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 110443135) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID110443135
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1nc(CNC(=O)CNC(=O)c2ccccc2)sc1C
InChIInChI=1S/C15H17N3O2S/c1-10-11(2)21-14(18-10)9-16-13(19)8-17-15(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyBEPZOZKPUNDZLM-UHFFFAOYSA-N
XLogP1.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 120550517
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444788
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide (CID 110443135) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide is Cc1nc(CNC(=O)CNC(=O)c2ccccc2)sc1C.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is BEPZOZKPUNDZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-11(2)21-14(18-10)9-16-13(19)8-17-15(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 303.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110443135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).