1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone

C14H17N3OS — CID 104528908

IUPAC1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)c2nc(C)cs2)cc1N
InChIInChI=1S/C14H17N3OS/c1-8-7-19-14(16-8)9(2)17-11-4-5-12(10(3)18)13(15)6-11/h4-7,9,17H,15H2,1-3H3
InChIKeyCKQWWAONGDTFLR-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.41
Rot. Bonds4

About 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone

1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone (PubChem CID 104528908) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
PubChem CID104528908
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)c2nc(C)cs2)cc1N
InChIInChI=1S/C14H17N3OS/c1-8-7-19-14(16-8)9(2)17-11-4-5-12(10(3)18)13(15)6-11/h4-7,9,17H,15H2,1-3H3
InChIKeyCKQWWAONGDTFLR-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113319865
6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxamide
CID 79099798
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
1-[2-amino-4-(1-thiophen-2-ylpropan-2-ylamino)phenyl]ethanone
CID 104528838
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 104613096
3-methyl-5-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]isoquinoline-5,8-diamine
CID 102713439
1-[2-amino-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]phenyl]ethanone
CID 104528581
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
2,3-difluoro-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 107935034
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923776

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone (CID 104528908) is 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone is CC(=O)c1ccc(NC(C)c2nc(C)cs2)cc1N.
What is the InChIKey of 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The InChIKey is CKQWWAONGDTFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-7-19-14(16-8)9(2)17-11-4-5-12(10(3)18)13(15)6-11/h4-7,9,17H,15H2,1-3H3.
What are the key properties of 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone has a molecular weight of 275.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone is sourced from PubChem (CID 104528908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).