[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine

C7H11N3S — CID 130548481

IUPAC[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCC2)s1
InChIInChI=1S/C7H11N3S/c8-4-6-5-9-7(11-6)10-2-1-3-10/h5H,1-4,8H2
InChIKeyVMQGIRHPFBWWKJ-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.81
Rot. Bonds2

About [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine

[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 130548481) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID130548481
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCC2)s1
InChIInChI=1S/C7H11N3S/c8-4-6-5-9-7(11-6)10-2-1-3-10/h5H,1-4,8H2
InChIKeyVMQGIRHPFBWWKJ-UHFFFAOYSA-N
XLogP0.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 130548481) is [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(N2CCC2)s1.
What is the InChIKey of [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VMQGIRHPFBWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-4-6-5-9-7(11-6)10-2-1-3-10/h5H,1-4,8H2.
What are the key properties of [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 169.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 130548481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).