1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride

C11H13ClN2OS — CID 67730537

IUPAC1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(NC2=NCCS2)c1.Cl
InChIInChI=1S/C11H12N2OS.ClH/c1-8(14)9-3-2-4-10(7-9)13-11-12-5-6-15-11;/h2-4,7H,5-6H2,1H3,(H,12,13);1H
InChIKeyFAKQEQJUKVIHPX-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.83
Rot. Bonds2

About 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride

1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride (PubChem CID 67730537) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
PubChem CID67730537
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(NC2=NCCS2)c1.Cl
InChIInChI=1S/C11H12N2OS.ClH/c1-8(14)9-3-2-4-10(7-9)13-11-12-5-6-15-11;/h2-4,7H,5-6H2,1H3,(H,12,13);1H
InChIKeyFAKQEQJUKVIHPX-UHFFFAOYSA-N
XLogP2.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964
1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone
CID 934675
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057668
N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068066
3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile
CID 29068246
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
CID 114003567
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
3-[4-[[3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)benzoyl]amino]-3,5-dimethylphenyl]prop-2-enoic acid
CID 54168321
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
N-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
CID 24846782

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride (CID 67730537) is 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride is CC(=O)c1cccc(NC2=NCCS2)c1.Cl.
What is the InChIKey of 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride?
The InChIKey is FAKQEQJUKVIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS.ClH/c1-8(14)9-3-2-4-10(7-9)13-11-12-5-6-15-11;/h2-4,7H,5-6H2,1H3,(H,12,13);1H.
What are the key properties of 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride?
1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride has a molecular weight of 256.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 67730537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).