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

C14H18N2OS — CID 115089202

IUPAC2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCOc1cccc(Cc2nc(C(C)CN)cs2)c1
InChIInChI=1S/C14H18N2OS/c1-10(8-15)13-9-18-14(16-13)7-11-4-3-5-12(6-11)17-2/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyKECWTKJYKXMUJO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.80
Rot. Bonds5

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

2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115089202) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115089202
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCOc1cccc(Cc2nc(C(C)CN)cs2)c1
InChIInChI=1S/C14H18N2OS/c1-10(8-15)13-9-18-14(16-13)7-11-4-3-5-12(6-11)17-2/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyKECWTKJYKXMUJO-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 64544006
2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol
CID 115089282
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 83969721
ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485447
[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114360980
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine (CID 115089202) is 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine is COc1cccc(Cc2nc(C(C)CN)cs2)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is KECWTKJYKXMUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(8-15)13-9-18-14(16-13)7-11-4-3-5-12(6-11)17-2/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115089202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).