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

C15H19N3OS — CID 110397866

IUPAC3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCNc1nc(CCNC(=O)c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C15H19N3OS/c1-10-4-5-12(8-11(10)2)14(19)17-7-6-13-9-20-15(16-3)18-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZCZVNMYGFXYQOO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.77
Rot. Bonds5

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

3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 110397866) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID110397866
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCNc1nc(CCNC(=O)c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C15H19N3OS/c1-10-4-5-12(8-11(10)2)14(19)17-7-6-13-9-20-15(16-3)18-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZCZVNMYGFXYQOO-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694174
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397918
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717499
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
4-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoic acid
CID 110719686
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide (CID 110397866) is 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide is CNc1nc(CCNC(=O)c2ccc(C)c(C)c2)cs1.
What is the InChIKey of 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is ZCZVNMYGFXYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-4-5-12(8-11(10)2)14(19)17-7-6-13-9-20-15(16-3)18-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide?
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 110397866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).