N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine

C12H14N2S — CID 79824844

IUPACN-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
SMILESCNCc1cccc(Cc2nccs2)c1
InChIInChI=1S/C12H14N2S/c1-13-9-11-4-2-3-10(7-11)8-12-14-5-6-15-12/h2-7,13H,8-9H2,1H3
InChIKeyBEBFNLIEMBVMSE-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine

N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine (PubChem CID 79824844) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
PubChem CID79824844
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC NameN-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
SMILESCNCc1cccc(Cc2nccs2)c1
InChIInChI=1S/C12H14N2S/c1-13-9-11-4-2-3-10(7-11)8-12-14-5-6-15-12/h2-7,13H,8-9H2,1H3
InChIKeyBEBFNLIEMBVMSE-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine (CID 79824844) is N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine is CNCc1cccc(Cc2nccs2)c1.
What is the InChIKey of N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
The InChIKey is BEBFNLIEMBVMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-13-9-11-4-2-3-10(7-11)8-12-14-5-6-15-12/h2-7,13H,8-9H2,1H3.
What are the key properties of N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine has a molecular weight of 218.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 79824844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).