1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride

C6H11Cl2N3S — CID 91623902

IUPAC1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2nccs2)C1
InChIInChI=1S/C6H9N3S.2ClH/c7-5-3-9(4-5)6-8-1-2-10-6;;/h1-2,5H,3-4,7H2;2*1H
InChIKeyBEKRXWMMXTXPJR-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.13
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride

1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride (PubChem CID 91623902) has the molecular formula C6H11Cl2N3S and a molecular weight of 228.15 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride
PubChem CID91623902
Molecular FormulaC6H11Cl2N3S
Molecular Weight228.15 g/mol
Exact Mass227.01
IUPAC Name1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2nccs2)C1
InChIInChI=1S/C6H9N3S.2ClH/c7-5-3-9(4-5)6-8-1-2-10-6;;/h1-2,5H,3-4,7H2;2*1H
InChIKeyBEKRXWMMXTXPJR-UHFFFAOYSA-N
XLogP1.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride?
The IUPAC name of 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride (CID 91623902) is 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride?
The canonical SMILES for 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride is Cl.Cl.NC1CN(c2nccs2)C1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride?
The InChIKey is BEKRXWMMXTXPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.2ClH/c7-5-3-9(4-5)6-8-1-2-10-6;;/h1-2,5H,3-4,7H2;2*1H.
What are the key properties of 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride?
1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride has a molecular weight of 228.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride is sourced from PubChem (CID 91623902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).