N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C13H18N2S — CID 22295019

IUPACN-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cc(C)ccc1NC1=NCC(C)S1
InChIInChI=1S/C13H18N2S/c1-4-11-7-9(2)5-6-12(11)15-13-14-8-10(3)16-13/h5-7,10H,4,8H2,1-3H3,(H,14,15)
InChIKeyXJJASZKHPWGGHP-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.46
Rot. Bonds2

About N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 22295019) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID22295019
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cc(C)ccc1NC1=NCC(C)S1
InChIInChI=1S/C13H18N2S/c1-4-11-7-9(2)5-6-12(11)15-13-14-8-10(3)16-13/h5-7,10H,4,8H2,1-3H3,(H,14,15)
InChIKeyXJJASZKHPWGGHP-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 22295019) is N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCc1cc(C)ccc1NC1=NCC(C)S1.
What is the InChIKey of N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XJJASZKHPWGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-4-11-7-9(2)5-6-12(11)15-13-14-8-10(3)16-13/h5-7,10H,4,8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 22295019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).