N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C13H16N2S — CID 116811809

IUPACN-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2c(C)cc(C)cc2C)s1
InChIInChI=1S/C13H16N2S/c1-8-5-9(2)12(10(3)6-8)11-7-15-13(14-4)16-11/h5-7H,1-4H3,(H,14,15)
InChIKeyKTYBAQQRHNFFRB-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.78
Rot. Bonds2

About N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 116811809) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID116811809
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2c(C)cc(C)cc2C)s1
InChIInChI=1S/C13H16N2S/c1-8-5-9(2)12(10(3)6-8)11-7-15-13(14-4)16-11/h5-7H,1-4H3,(H,14,15)
InChIKeyKTYBAQQRHNFFRB-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 116811809) is N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is CNc1ncc(-c2c(C)cc(C)cc2C)s1.
What is the InChIKey of N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KTYBAQQRHNFFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-5-9(2)12(10(3)6-8)11-7-15-13(14-4)16-11/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116811809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).