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

C12H16N2S — CID 2802278

IUPAC5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine
SMILESCc1ccccc1NC1=NCC(C)(C)S1
InChIInChI=1S/C12H16N2S/c1-9-6-4-5-7-10(9)14-11-13-8-12(2,3)15-11/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyJTQRHHYZHKNFEP-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.29
Rot. Bonds1

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

5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine (PubChem CID 2802278) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine
PubChem CID2802278
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine
SMILESCc1ccccc1NC1=NCC(C)(C)S1
InChIInChI=1S/C12H16N2S/c1-9-6-4-5-7-10(9)14-11-13-8-12(2,3)15-11/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyJTQRHHYZHKNFEP-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine?
The IUPAC name of 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine (CID 2802278) is 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine is Cc1ccccc1NC1=NCC(C)(C)S1.
What is the InChIKey of 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine?
The InChIKey is JTQRHHYZHKNFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-6-4-5-7-10(9)14-11-13-8-12(2,3)15-11/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine?
5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 2802278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).