4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine

C12H14N2S — CID 43431839

IUPAC4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C)cc1
InChIInChI=1S/C12H14N2S/c1-8-3-5-10(6-4-8)7-11-9(2)14-12(13)15-11/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyMFTOOONJCLCDST-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.93
Rot. Bonds2

About 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine

4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 43431839) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID43431839
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C)cc1
InChIInChI=1S/C12H14N2S/c1-8-3-5-10(6-4-8)7-11-9(2)14-12(13)15-11/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyMFTOOONJCLCDST-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 43431839) is 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1ccc(Cc2sc(N)nc2C)cc1.
What is the InChIKey of 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MFTOOONJCLCDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8-3-5-10(6-4-8)7-11-9(2)14-12(13)15-11/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43431839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).