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

C11H13ClN2S — CID 3388858

IUPACN-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccc(Cl)c2)=N1
InChIInChI=1S/C11H13ClN2S/c1-2-9-7-15-11(13-9)14-10-5-3-4-8(12)6-10/h3-6,9H,2,7H2,1H3,(H,13,14)
InChIKeyRLIGRNBOFPVMSV-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.63
Rot. Bonds2

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

N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3388858) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3388858
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccc(Cl)c2)=N1
InChIInChI=1S/C11H13ClN2S/c1-2-9-7-15-11(13-9)14-10-5-3-4-8(12)6-10/h3-6,9H,2,7H2,1H3,(H,13,14)
InChIKeyRLIGRNBOFPVMSV-UHFFFAOYSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 3388858) is N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2cccc(Cl)c2)=N1.
What is the InChIKey of N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RLIGRNBOFPVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-2-9-7-15-11(13-9)14-10-5-3-4-8(12)6-10/h3-6,9H,2,7H2,1H3,(H,13,14).
What are the key properties of N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3388858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).