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

C12H15ClN2S — CID 2725189

IUPACN-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(C)c(Cl)c2)=N1
InChIInChI=1S/C12H15ClN2S/c1-3-9-7-16-12(14-9)15-10-5-4-8(2)11(13)6-10/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyWUWAYPGYKSVNJG-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.94
Rot. Bonds2

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

N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2725189) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2725189
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC NameN-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(C)c(Cl)c2)=N1
InChIInChI=1S/C12H15ClN2S/c1-3-9-7-16-12(14-9)15-10-5-4-8(2)11(13)6-10/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyWUWAYPGYKSVNJG-UHFFFAOYSA-N
XLogP3.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 2725189) is N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccc(C)c(Cl)c2)=N1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WUWAYPGYKSVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-3-9-7-16-12(14-9)15-10-5-4-8(2)11(13)6-10/h4-6,9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 254.79 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2725189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).