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

C15H19N3OS — CID 64555679

IUPAC2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNC(C)c1csc(NC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H19N3OS/c1-9-5-6-12(10(2)7-9)14(19)18-15-17-13(8-20-15)11(3)16-4/h5-8,11,16H,1-4H3,(H,17,18,19)
InChIKeyAFCHXJKAZHEQSA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.29
Rot. Bonds4

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

2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 64555679) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID64555679
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNC(C)c1csc(NC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H19N3OS/c1-9-5-6-12(10(2)7-9)14(19)18-15-17-13(8-20-15)11(3)16-4/h5-8,11,16H,1-4H3,(H,17,18,19)
InChIKeyAFCHXJKAZHEQSA-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64558252
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64557263
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64557656
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 104785736
2-ethyl-5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 66128265
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 64555679) is 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide is CNC(C)c1csc(NC(=O)c2ccc(C)cc2C)n1.
What is the InChIKey of 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is AFCHXJKAZHEQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-5-6-12(10(2)7-9)14(19)18-15-17-13(8-20-15)11(3)16-4/h5-8,11,16H,1-4H3,(H,17,18,19).
What are the key properties of 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 64555679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).