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

C14H18N2OS — CID 61332776

IUPACN-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1nccs1
InChIInChI=1S/C14H18N2OS/c1-3-7-15-13(14-16-8-9-18-14)11-5-4-6-12(10-11)17-2/h4-6,8-10,13,15H,3,7H2,1-2H3
InChIKeySPMUEAZUNFQXPL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.24
Rot. Bonds6

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

N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 61332776) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID61332776
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1nccs1
InChIInChI=1S/C14H18N2OS/c1-3-7-15-13(14-16-8-9-18-14)11-5-4-6-12(10-11)17-2/h4-6,8-10,13,15H,3,7H2,1-2H3
InChIKeySPMUEAZUNFQXPL-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62544424
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447
1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol
CID 81134144
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 61332776) is N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1nccs1.
What is the InChIKey of N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is SPMUEAZUNFQXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-7-15-13(14-16-8-9-18-14)11-5-4-6-12(10-11)17-2/h4-6,8-10,13,15H,3,7H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61332776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).