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

C12H16N2S — CID 2404813

IUPAC4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(C)(C)CS2)cc1
InChIInChI=1S/C12H16N2S/c1-9-4-6-10(7-5-9)13-11-14-12(2,3)8-15-11/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyMADFAEUOLHCZLP-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.29
Rot. Bonds1

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

4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine (PubChem CID 2404813) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine
PubChem CID2404813
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(C)(C)CS2)cc1
InChIInChI=1S/C12H16N2S/c1-9-4-6-10(7-5-9)13-11-14-12(2,3)8-15-11/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyMADFAEUOLHCZLP-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 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine (CID 2404813) is 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine is Cc1ccc(NC2=NC(C)(C)CS2)cc1.
What is the InChIKey of 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is MADFAEUOLHCZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-4-6-10(7-5-9)13-11-14-12(2,3)8-15-11/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine?
4,4-dimethyl-N-(4-methylphenyl)-5H-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 4,4-dimethyl-N-(4-methylphenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2404813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).