5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one

C16H20N2OS — CID 116570826

IUPAC5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
SMILESCc1nc(CC(=O)CCC(N)c2ccccc2)sc1C
InChIInChI=1S/C16H20N2OS/c1-11-12(2)20-16(18-11)10-14(19)8-9-15(17)13-6-4-3-5-7-13/h3-7,15H,8-10,17H2,1-2H3
InChIKeySUGXDFVZQXXBBV-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.35
Rot. Bonds6

About 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one

5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one (PubChem CID 116570826) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
PubChem CID116570826
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
SMILESCc1nc(CC(=O)CCC(N)c2ccccc2)sc1C
InChIInChI=1S/C16H20N2OS/c1-11-12(2)20-16(18-11)10-14(19)8-9-15(17)13-6-4-3-5-7-13/h3-7,15H,8-10,17H2,1-2H3
InChIKeySUGXDFVZQXXBBV-UHFFFAOYSA-N
XLogP3.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888
5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one
CID 116570893
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
4-amino-1,4-diphenylbutan-1-one
CID 116570833
5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one
CID 107311348
3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846232
4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
CID 116570738
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119953989
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116570854

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The IUPAC name of 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one (CID 116570826) is 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one.
What is the SMILES notation for 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The canonical SMILES for 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one is Cc1nc(CC(=O)CCC(N)c2ccccc2)sc1C.
What is the InChIKey of 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The InChIKey is SUGXDFVZQXXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-12(2)20-16(18-11)10-14(19)8-9-15(17)13-6-4-3-5-7-13/h3-7,15H,8-10,17H2,1-2H3.
What are the key properties of 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one has a molecular weight of 288.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one is sourced from PubChem (CID 116570826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).