1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one

C17H22N2OS — CID 62051669

IUPAC1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)Cc2csc(C)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-5-14-6-8-15(9-7-14)17(20)12(2)19(4)10-16-11-21-13(3)18-16/h6-9,11-12H,5,10H2,1-4H3
InChIKeyLEBZIGXRWRMGBW-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one

1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one (PubChem CID 62051669) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
PubChem CID62051669
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)Cc2csc(C)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-5-14-6-8-15(9-7-14)17(20)12(2)19(4)10-16-11-21-13(3)18-16/h6-9,11-12H,5,10H2,1-4H3
InChIKeyLEBZIGXRWRMGBW-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one
CID 113499699
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide
CID 86865419
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
CID 63585046
6-amino-1,3-dimethyl-5-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanoyl]pyrimidine-2,4-dione
CID 86865451
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46438111
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-2-methylpropanenitrile
CID 62051506

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one (CID 62051669) is 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one is CCc1ccc(C(=O)C(C)N(C)Cc2csc(C)n2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one?
The InChIKey is LEBZIGXRWRMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-5-14-6-8-15(9-7-14)17(20)12(2)19(4)10-16-11-21-13(3)18-16/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one?
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one has a molecular weight of 302.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 62051669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).