1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C14H16N2OS — CID 60960350

IUPAC1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESC=CCOc1ccc(CNCc2nccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-8-17-13-5-3-12(4-6-13)10-15-11-14-16-7-9-18-14/h2-7,9,15H,1,8,10-11H2
InChIKeyDOBZIORGTYQEEF-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.00
Rot. Bonds7

About 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 60960350) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID60960350
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESC=CCOc1ccc(CNCc2nccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-8-17-13-5-3-12(4-6-13)10-15-11-14-16-7-9-18-14/h2-7,9,15H,1,8,10-11H2
InChIKeyDOBZIORGTYQEEF-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine 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

N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 79978937
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 28712766
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine
CID 86845360
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 115989461
1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 91928127

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 60960350) is 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is C=CCOc1ccc(CNCc2nccs2)cc1.
What is the InChIKey of 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is DOBZIORGTYQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-8-17-13-5-3-12(4-6-13)10-15-11-14-16-7-9-18-14/h2-7,9,15H,1,8,10-11H2.
What are the key properties of 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 260.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 60960350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).