1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

C18H26N2S — CID 62796548

IUPAC1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(CC)cc1)Cc1nc(C)cs1
InChIInChI=1S/C18H26N2S/c1-4-10-19-17(12-18-20-14(3)13-21-18)11-16-8-6-15(5-2)7-9-16/h6-9,13,17,19H,4-5,10-12H2,1-3H3
InChIKeyDGMBVXPXDJSOIG-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.17
Rot. Bonds8

About 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (PubChem CID 62796548) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
PubChem CID62796548
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(CC)cc1)Cc1nc(C)cs1
InChIInChI=1S/C18H26N2S/c1-4-10-19-17(12-18-20-14(3)13-21-18)11-16-8-6-15(5-2)7-9-16/h6-9,13,17,19H,4-5,10-12H2,1-3H3
InChIKeyDGMBVXPXDJSOIG-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796365
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
1-(4-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796349
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (CID 62796548) is 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(CC)cc1)Cc1nc(C)cs1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The InChIKey is DGMBVXPXDJSOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-10-19-17(12-18-20-14(3)13-21-18)11-16-8-6-15(5-2)7-9-16/h6-9,13,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 62796548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).