5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride

C11H14ClN3S — CID 146316610

IUPAC5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride
SMILESCC(N)c1ccc(-c2scnc2N)cc1.Cl
InChIInChI=1S/C11H13N3S.ClH/c1-7(12)8-2-4-9(5-3-8)10-11(13)14-6-15-10;/h2-7H,12-13H2,1H3;1H
InChIKeyJKTLNLWGYMNKMI-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.83
Rot. Bonds2

About 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride

5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride (PubChem CID 146316610) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride
PubChem CID146316610
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride
SMILESCC(N)c1ccc(-c2scnc2N)cc1.Cl
InChIInChI=1S/C11H13N3S.ClH/c1-7(12)8-2-4-9(5-3-8)10-11(13)14-6-15-10;/h2-7H,12-13H2,1H3;1H
InChIKeyJKTLNLWGYMNKMI-UHFFFAOYSA-N
XLogP2.83
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride?
The IUPAC name of 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride (CID 146316610) is 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride.
What is the SMILES notation for 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride?
The canonical SMILES for 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride is CC(N)c1ccc(-c2scnc2N)cc1.Cl.
What is the InChIKey of 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride?
The InChIKey is JKTLNLWGYMNKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S.ClH/c1-7(12)8-2-4-9(5-3-8)10-11(13)14-6-15-10;/h2-7H,12-13H2,1H3;1H.
What are the key properties of 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride?
5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride has a molecular weight of 255.77 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-aminoethyl)phenyl]-1,3-thiazol-4-amine;hydrochloride is sourced from PubChem (CID 146316610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).