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

C12H14N2S — CID 62330445

IUPAC[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCc1ccc(Cc2nc(CN)cs2)cc1
InChIInChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)6-12-14-11(7-13)8-15-12/h2-5,8H,6-7,13H2,1H3
InChIKeyNBZWTXLCXLJPSR-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.50
Rot. Bonds3

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

[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 62330445) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID62330445
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCc1ccc(Cc2nc(CN)cs2)cc1
InChIInChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)6-12-14-11(7-13)8-15-12/h2-5,8H,6-7,13H2,1H3
InChIKeyNBZWTXLCXLJPSR-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine (CID 62330445) is [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine is Cc1ccc(Cc2nc(CN)cs2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is NBZWTXLCXLJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-2-4-10(5-3-9)6-12-14-11(7-13)8-15-12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 62330445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).