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

C14H18N2OS — CID 104588789

IUPACN-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1cccc(CNCC(C)c2nccs2)c1
InChIInChI=1S/C14H18N2OS/c1-11(14-16-6-7-18-14)9-15-10-12-4-3-5-13(8-12)17-2/h3-8,11,15H,9-10H2,1-2H3
InChIKeyPYBFYNOSBPLSSH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.05
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104588789) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104588789
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1cccc(CNCC(C)c2nccs2)c1
InChIInChI=1S/C14H18N2OS/c1-11(14-16-6-7-18-14)9-15-10-12-4-3-5-13(8-12)17-2/h3-8,11,15H,9-10H2,1-2H3
InChIKeyPYBFYNOSBPLSSH-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584918
N-[(3-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612191
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104588789) is N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is COc1cccc(CNCC(C)c2nccs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is PYBFYNOSBPLSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(14-16-6-7-18-14)9-15-10-12-4-3-5-13(8-12)17-2/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104588789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).