2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide

C15H19N3OS — CID 115917200

IUPAC2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(C)c2cncs2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)15(19)18-13-6-4-12(5-7-13)17-11(3)14-8-16-9-20-14/h4-11,17H,1-3H3,(H,18,19)
InChIKeyZINHTVHAZHDCAE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide

2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide (PubChem CID 115917200) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
PubChem CID115917200
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(C)c2cncs2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)15(19)18-13-6-4-12(5-7-13)17-11(3)14-8-16-9-20-14/h4-11,17H,1-3H3,(H,18,19)
InChIKeyZINHTVHAZHDCAE-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 115928663
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928974
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917439
N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide
CID 167857430
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
CID 115916620
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
methane;2-methyl-N-[8-(1,3-thiazol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl]propanamide
CID 114982762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide (CID 115917200) is 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(C)c2cncs2)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide?
The InChIKey is ZINHTVHAZHDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)15(19)18-13-6-4-12(5-7-13)17-11(3)14-8-16-9-20-14/h4-11,17H,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide?
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 115917200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).