1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one

C13H14N2OS — CID 116575731

IUPAC1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14N2OS/c1-9-4-2-3-5-10(9)6-12(16)7-11-8-17-13(14)15-11/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyJUELZYWXFOYBLR-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.39
Rot. Bonds4

About 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one (PubChem CID 116575731) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
PubChem CID116575731
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14N2OS/c1-9-4-2-3-5-10(9)6-12(16)7-11-8-17-13(14)15-11/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyJUELZYWXFOYBLR-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
CID 116575765
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61411885
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 62798043
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62797273
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 116575680
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one (CID 116575731) is 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one is Cc1ccccc1CC(=O)Cc1csc(N)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one?
The InChIKey is JUELZYWXFOYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-4-2-3-5-10(9)6-12(16)7-11-8-17-13(14)15-11/h2-5,8H,6-7H2,1H3,(H2,14,15).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one has a molecular weight of 246.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one is sourced from PubChem (CID 116575731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).