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

C11H12N2S — CID 600157

IUPACN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
SMILESCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H12N2S/c1-12-7-11-13-10(8-14-11)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
InChIKeyIWMGARGHDMDXOO-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.53
Rot. Bonds3

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

N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine (PubChem CID 600157) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
PubChem CID600157
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC NameN-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
SMILESCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H12N2S/c1-12-7-11-13-10(8-14-11)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
InChIKeyIWMGARGHDMDXOO-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine (CID 600157) is N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine is CNCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is IWMGARGHDMDXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-12-7-11-13-10(8-14-11)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3.
What are the key properties of N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine?
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 204.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 600157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).