N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine

C13H16N2S — CID 9268603

IUPACN-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C13H16N2S/c1-8-5-9(2)7-12(6-8)15-13-14-10(3)11(4)16-13/h5-7H,1-4H3,(H,14,15)
InChIKeyOUBIXXJKBVTWEW-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.12
Rot. Bonds2

About N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 9268603) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID9268603
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C13H16N2S/c1-8-5-9(2)7-12(6-8)15-13-14-10(3)11(4)16-13/h5-7H,1-4H3,(H,14,15)
InChIKeyOUBIXXJKBVTWEW-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 9268603) is N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1cc(C)cc(Nc2nc(C)c(C)s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OUBIXXJKBVTWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-5-9(2)7-12(6-8)15-13-14-10(3)11(4)16-13/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 9268603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).