2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine

C17H24N2S — CID 79416846

IUPAC2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(C(CNC(C)C)Cc2cnc(C)s2)c1
InChIInChI=1S/C17H24N2S/c1-12(2)18-10-16(9-17-11-19-14(4)20-17)15-7-5-6-13(3)8-15/h5-8,11-12,16,18H,9-10H2,1-4H3
InChIKeyXUVVOCBPYNTQAW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.08
Rot. Bonds6

About 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine

2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79416846) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79416846
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(C(CNC(C)C)Cc2cnc(C)s2)c1
InChIInChI=1S/C17H24N2S/c1-12(2)18-10-16(9-17-11-19-14(4)20-17)15-7-5-6-13(3)8-15/h5-8,11-12,16,18H,9-10H2,1-4H3
InChIKeyXUVVOCBPYNTQAW-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79416650
2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79439524
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79416571
2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine
CID 79430702
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79443581
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79430683

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine (CID 79416846) is 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine is Cc1cccc(C(CNC(C)C)Cc2cnc(C)s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is XUVVOCBPYNTQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(2)18-10-16(9-17-11-19-14(4)20-17)15-7-5-6-13(3)8-15/h5-8,11-12,16,18H,9-10H2,1-4H3.
What are the key properties of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79416846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).