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

C14H18N2S — CID 79416650

IUPAC2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2cnc(C)s2)c1
InChIInChI=1S/C14H18N2S/c1-10-4-3-5-12(6-10)13(8-15)7-14-9-16-11(2)17-14/h3-6,9,13H,7-8,15H2,1-2H3
InChIKeyGEGQDLLEMUQTOZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.04
Rot. Bonds4

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

2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 79416650) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID79416650
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2cnc(C)s2)c1
InChIInChI=1S/C14H18N2S/c1-10-4-3-5-12(6-10)13(8-15)7-14-9-16-11(2)17-14/h3-6,9,13H,7-8,15H2,1-2H3
InChIKeyGEGQDLLEMUQTOZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.04
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)-N-propan-2-ylpropan-1-amine
CID 79416846
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82870488
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416832

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 79416650) is 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is Cc1cccc(C(CN)Cc2cnc(C)s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is GEGQDLLEMUQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-3-5-12(6-10)13(8-15)7-14-9-16-11(2)17-14/h3-6,9,13H,7-8,15H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.04, 4 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)propan-1-amine is sourced from PubChem (CID 79416650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).