1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C14H18N2OS — CID 61280424

IUPAC1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cnc(C)s2)cc1C
InChIInChI=1S/C14H18N2OS/c1-10-6-12(4-5-14(10)17-3)7-15-8-13-9-16-11(2)18-13/h4-6,9,15H,7-8H2,1-3H3
InChIKeyHQECKLDVNMUEFX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 61280424) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID61280424
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cnc(C)s2)cc1C
InChIInChI=1S/C14H18N2OS/c1-10-6-12(4-5-14(10)17-3)7-15-8-13-9-16-11(2)18-13/h4-6,9,15H,7-8H2,1-3H3
InChIKeyHQECKLDVNMUEFX-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
1-(1H-indol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 102910369
1-[4-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60776712
1-(4-methoxy-3-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 54885267
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 119107400
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
6-[[(4-methoxy-3-methylphenyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 166258581
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63270765
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
3-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280992

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 61280424) is 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is COc1ccc(CNCc2cnc(C)s2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is HQECKLDVNMUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-6-12(4-5-14(10)17-3)7-15-8-13-9-16-11(2)18-13/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 61280424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).