1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine

C17H24N2S — CID 61334577

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1nc(C)c(C)s1)C(C)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-5-11-18-16(17-19-13(3)14(4)20-17)12(2)15-9-7-6-8-10-15/h6-10,12,16,18H,5,11H2,1-4H3
InChIKeyAIUJWNSXLCKEHK-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.60
Rot. Bonds6

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 61334577) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
PubChem CID61334577
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1nc(C)c(C)s1)C(C)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-5-11-18-16(17-19-13(3)14(4)20-17)12(2)15-9-7-6-8-10-15/h6-10,12,16,18H,5,11H2,1-4H3
InChIKeyAIUJWNSXLCKEHK-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-phenylpropan-1-amine
CID 62544596
4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
CID 83382597
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
N-[(2,6-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61334582
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 65169094
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635
N-ethyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331441
N-[(3-chloro-4-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 81154611
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine (CID 61334577) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine is CCCNC(c1nc(C)c(C)s1)C(C)c1ccccc1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is AIUJWNSXLCKEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-11-18-16(17-19-13(3)14(4)20-17)12(2)15-9-7-6-8-10-15/h6-10,12,16,18H,5,11H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 61334577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).