N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H18N2OS — CID 60761621

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(CNCCc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-11-10-18-14(16-11)7-8-15-9-12-3-5-13(17-2)6-4-12/h3-6,10,15H,7-9H2,1-2H3
InChIKeyXUXCFANPLKFMIB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 60761621) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID60761621
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(CNCCc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-11-10-18-14(16-11)7-8-15-9-12-3-5-13(17-2)6-4-12/h3-6,10,15H,7-9H2,1-2H3
InChIKeyXUXCFANPLKFMIB-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
CID 7119083
N-(2-(2-(3,4-dimethoxyphenyl)thiazol-4-yl)ethyl)propane-1-sulfonamide
CID 7119084
4-(4-Methoxy-phenyl)-2-(2-methyl-tetrahydro-pyran-4-yl)-thiazole
CID 16682543
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146427577
(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512010
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512035
(Z)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369079
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine
CID 680797
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 60761621) is N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is COc1ccc(CNCCc2nc(C)cs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XUXCFANPLKFMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-10-18-14(16-11)7-8-15-9-12-3-5-13(17-2)6-4-12/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 60761621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).