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

C15H19N3OS — CID 110742660

IUPAC4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCN(CCc1nccs1)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19N3OS/c1-17(2)13-6-4-12(5-7-13)15(19)18(3)10-8-14-16-9-11-20-14/h4-7,9,11H,8,10H2,1-3H3
InChIKeyKOEHDFOXRBTYNX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.52
Rot. Bonds5

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

4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110742660) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110742660
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCN(CCc1nccs1)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19N3OS/c1-17(2)13-6-4-12(5-7-13)15(19)18(3)10-8-14-16-9-11-20-14/h4-7,9,11H,8,10H2,1-3H3
InChIKeyKOEHDFOXRBTYNX-UHFFFAOYSA-N
XLogP2.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110715983
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75387967
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
1-hydroxy-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 136530583
2-(2-chlorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716038
(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride
CID 154752113
1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 110747663
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110742649
3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 71844410
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110742655

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 110742660) is 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is CN(CCc1nccs1)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is KOEHDFOXRBTYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-17(2)13-6-4-12(5-7-13)15(19)18(3)10-8-14-16-9-11-20-14/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110742660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).