1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

C14H18N2OS — CID 61285032

IUPAC1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1nccs1
InChIInChI=1S/C14H18N2OS/c1-11(16-10-14-15-7-8-18-14)9-12-5-3-4-6-13(12)17-2/h3-8,11,16H,9-10H2,1-2H3
InChIKeyKRTAWUJAGSSNLC-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.87
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (PubChem CID 61285032) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
PubChem CID61285032
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1nccs1
InChIInChI=1S/C14H18N2OS/c1-11(16-10-14-15-7-8-18-14)9-12-5-3-4-6-13(12)17-2/h3-8,11,16H,9-10H2,1-2H3
InChIKeyKRTAWUJAGSSNLC-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 55170907
1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895370
3-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 115868201
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
N-[(2-methoxyphenyl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 131963860
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 61285626
2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
CID 61391582
2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (CID 61285032) is 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is COc1ccccc1CC(C)NCc1nccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The InChIKey is KRTAWUJAGSSNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(16-10-14-15-7-8-18-14)9-12-5-3-4-6-13(12)17-2/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 61285032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).