5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C15H22N2S — CID 113492342

IUPAC5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)c(NC2=NCC(C(C)C)S2)c(C)c1
InChIInChI=1S/C15H22N2S/c1-9(2)13-8-16-15(18-13)17-14-11(4)6-10(3)7-12(14)5/h6-7,9,13H,8H2,1-5H3,(H,16,17)
InChIKeyYDHRCOLHDQGKJH-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.15
Rot. Bonds2

About 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492342) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492342
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)c(NC2=NCC(C(C)C)S2)c(C)c1
InChIInChI=1S/C15H22N2S/c1-9(2)13-8-16-15(18-13)17-14-11(4)6-10(3)7-12(14)5/h6-7,9,13H,8H2,1-5H3,(H,16,17)
InChIKeyYDHRCOLHDQGKJH-UHFFFAOYSA-N
XLogP4.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 113492342) is 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)c(NC2=NCC(C(C)C)S2)c(C)c1.
What is the InChIKey of 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YDHRCOLHDQGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-9(2)13-8-16-15(18-13)17-14-11(4)6-10(3)7-12(14)5/h6-7,9,13H,8H2,1-5H3,(H,16,17).
What are the key properties of 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).