2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

C15H20N2OS — CID 55143101

IUPAC2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-11-17-10-15(19-11)8-13(9-16)7-12-3-5-14(18-2)6-4-12/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyDFFHDDIWRLJHLM-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.82
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 55143101) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID55143101
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-11-17-10-15(19-11)8-13(9-16)7-12-3-5-14(18-2)6-4-12/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyDFFHDDIWRLJHLM-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole
CID 99831712
2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62530583
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
CID 107897068
N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 75388847
2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645241
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 55143101) is 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is COc1ccc(CC(CN)Cc2cnc(C)s2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is DFFHDDIWRLJHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-17-10-15(19-11)8-13(9-16)7-12-3-5-14(18-2)6-4-12/h3-6,10,13H,7-9,16H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 55143101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).