1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone

C13H16N2OS — CID 934675

IUPAC1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(NC2=NCC(C)(C)S2)c1
InChIInChI=1S/C13H16N2OS/c1-9(16)10-5-4-6-11(7-10)15-12-14-8-13(2,3)17-12/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeySGIYTENWGQPFQJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.18
Rot. Bonds2

About 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone

1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone (PubChem CID 934675) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone
PubChem CID934675
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(NC2=NCC(C)(C)S2)c1
InChIInChI=1S/C13H16N2OS/c1-9(16)10-5-4-6-11(7-10)15-12-14-8-13(2,3)17-12/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeySGIYTENWGQPFQJ-UHFFFAOYSA-N
XLogP3.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-5,5-dimethyl-4H-1,3-thiazol-2-amine
CID 19627887
1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
CID 67730537
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
CID 115361118
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
N-(3-acetylphenyl)propanamide
CID 903063
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799
1-[3-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 1075902
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902
1-[3-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547435

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone (CID 934675) is 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone is CC(=O)c1cccc(NC2=NCC(C)(C)S2)c1.
What is the InChIKey of 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The InChIKey is SGIYTENWGQPFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(16)10-5-4-6-11(7-10)15-12-14-8-13(2,3)17-12/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone?
1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone has a molecular weight of 248.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 934675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).