N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine

C12H14N2OS — CID 131072397

IUPACN-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine
SMILESCNCc1csc(OCc2ccccc2)n1
InChIInChI=1S/C12H14N2OS/c1-13-7-11-9-16-12(14-11)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyPTBLQNYDMZRSTE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine

N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine (PubChem CID 131072397) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine
PubChem CID131072397
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine
SMILESCNCc1csc(OCc2ccccc2)n1
InChIInChI=1S/C12H14N2OS/c1-13-7-11-9-16-12(14-11)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyPTBLQNYDMZRSTE-UHFFFAOYSA-N
XLogP2.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)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-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783183
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855
1-(1-benzyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine
CID 66665539
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783127
1-[4-(2,5-dichloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4242040
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid
CID 155391814
1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193897
1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4036816
1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 106484727

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine (CID 131072397) is N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine is CNCc1csc(OCc2ccccc2)n1.
What is the InChIKey of N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine?
The InChIKey is PTBLQNYDMZRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-13-7-11-9-16-12(14-11)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3.
What are the key properties of N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine?
N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 131072397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).