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

C15H19N3OS — CID 63245324

IUPAC4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCNc1ccc(C(=O)NCCc2nccs2)cc1C
InChIInChI=1S/C15H19N3OS/c1-3-16-13-5-4-12(10-11(13)2)15(19)18-7-6-14-17-8-9-20-14/h4-5,8-10,16H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyKRHDZUPLCTXFTO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds6

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

4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 63245324) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID63245324
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCNc1ccc(C(=O)NCCc2nccs2)cc1C
InChIInChI=1S/C15H19N3OS/c1-3-16-13-5-4-12(10-11(13)2)15(19)18-7-6-14-17-8-9-20-14/h4-5,8-10,16H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyKRHDZUPLCTXFTO-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 55175820
4-(ethylamino)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81241331
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80690560
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82116058
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 63245324) is 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is CCNc1ccc(C(=O)NCCc2nccs2)cc1C.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is KRHDZUPLCTXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-16-13-5-4-12(10-11(13)2)15(19)18-7-6-14-17-8-9-20-14/h4-5,8-10,16H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 63245324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).