1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one

C13H14N2OS — CID 116555431

IUPAC1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCc1nc(CC(=O)CNc2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)7-13(16)8-14-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3
InChIKeyGGBLMSFCTMNWGX-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.68
Rot. Bonds5

About 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one

1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (PubChem CID 116555431) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
PubChem CID116555431
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCc1nc(CC(=O)CNc2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)7-13(16)8-14-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3
InChIKeyGGBLMSFCTMNWGX-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554956
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 66044328
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
5-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116555704

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (CID 116555431) is 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is Cc1nc(CC(=O)CNc2ccccc2)cs1.
What is the InChIKey of 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The InChIKey is GGBLMSFCTMNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)7-13(16)8-14-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one has a molecular weight of 246.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 116555431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).