N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide

C15H19N3OS — CID 64993033

IUPACN-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)c2nccs2)c1C
InChIInChI=1S/C15H19N3OS/c1-4-14(19)18-13-7-5-6-12(10(13)2)17-11(3)15-16-8-9-20-15/h5-9,11,17H,4H2,1-3H3,(H,18,19)
InChIKeyZUMDFSMFCKQMML-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.97
Rot. Bonds5

About N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide

N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide (PubChem CID 64993033) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
PubChem CID64993033
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)c2nccs2)c1C
InChIInChI=1S/C15H19N3OS/c1-4-14(19)18-13-7-5-6-12(10(13)2)17-11(3)15-16-8-9-20-15/h5-9,11,17H,4H2,1-3H3,(H,18,19)
InChIKeyZUMDFSMFCKQMML-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
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2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
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N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
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2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
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2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide (CID 64993033) is N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(C)c2nccs2)c1C.
What is the InChIKey of N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide?
The InChIKey is ZUMDFSMFCKQMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-14(19)18-13-7-5-6-12(10(13)2)17-11(3)15-16-8-9-20-15/h5-9,11,17H,4H2,1-3H3,(H,18,19).
What are the key properties of N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide?
N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 64993033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).