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

C14H19ClN2S — CID 113496008

IUPACN-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NC(C)c2ccc(Cl)cc2)S1
InChIInChI=1S/C14H19ClN2S/c1-3-4-13-9-16-14(18-13)17-10(2)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyRRYBOBFKCWVDPE-UHFFFAOYSA-N
MW282.84 g/mol
LogP4.26
Rot. Bonds4

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

N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113496008) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113496008
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NC(C)c2ccc(Cl)cc2)S1
InChIInChI=1S/C14H19ClN2S/c1-3-4-13-9-16-14(18-13)17-10(2)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyRRYBOBFKCWVDPE-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113496008) is N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NC(C)c2ccc(Cl)cc2)S1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RRYBOBFKCWVDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c1-3-4-13-9-16-14(18-13)17-10(2)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113496008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).