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

C14H18N2OS — CID 65017713

IUPAC1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1cnc(C)s1
InChIInChI=1S/C14H18N2OS/c1-10-16-9-13(18-10)8-12(15)7-11-5-3-4-6-14(11)17-2/h3-6,9,12H,7-8,15H2,1-2H3
InChIKeyRDSKKRRHIAKNIQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine (PubChem CID 65017713) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
PubChem CID65017713
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1cnc(C)s1
InChIInChI=1S/C14H18N2OS/c1-10-16-9-13(18-10)8-12(15)7-11-5-3-4-6-14(11)17-2/h3-6,9,12H,7-8,15H2,1-2H3
InChIKeyRDSKKRRHIAKNIQ-UHFFFAOYSA-N
XLogP2.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(furan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 83174719
1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020144
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105107532
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
[3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanol
CID 63021172
1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine (CID 65017713) is 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine is COc1ccccc1CC(N)Cc1cnc(C)s1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is RDSKKRRHIAKNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-16-9-13(18-10)8-12(15)7-11-5-3-4-6-14(11)17-2/h3-6,9,12H,7-8,15H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine?
1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 65017713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).