4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H18N2S — CID 3685595

IUPAC4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccccc2C(C)C)=N1
InChIInChI=1S/C13H18N2S/c1-9(2)11-6-4-5-7-12(11)15-13-14-10(3)8-16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyYICYTKDUYKRPSZ-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.71
Rot. Bonds2

About 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3685595) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3685595
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccccc2C(C)C)=N1
InChIInChI=1S/C13H18N2S/c1-9(2)11-6-4-5-7-12(11)15-13-14-10(3)8-16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyYICYTKDUYKRPSZ-UHFFFAOYSA-N
XLogP3.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3685595) is 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(Nc2ccccc2C(C)C)=N1.
What is the InChIKey of 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YICYTKDUYKRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9(2)11-6-4-5-7-12(11)15-13-14-10(3)8-16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3685595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).