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

C13H18N2S — CID 4658496

IUPAC5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc(C(C)C)cc2)S1
InChIInChI=1S/C13H18N2S/c1-9(2)11-4-6-12(7-5-11)15-13-14-8-10(3)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyIYNRNHQPHMUBKD-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.71
Rot. Bonds2

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

5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 4658496) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID4658496
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc(C(C)C)cc2)S1
InChIInChI=1S/C13H18N2S/c1-9(2)11-4-6-12(7-5-11)15-13-14-8-10(3)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyIYNRNHQPHMUBKD-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 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 4658496) is 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2ccc(C(C)C)cc2)S1.
What is the InChIKey of 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IYNRNHQPHMUBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9(2)11-4-6-12(7-5-11)15-13-14-8-10(3)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(4-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 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 4658496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).