[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine

C9H14N2OS — CID 116727873

IUPAC[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
SMILESCOC1(c2nc(CN)cs2)CCC1
InChIInChI=1S/C9H14N2OS/c1-12-9(3-2-4-9)8-11-7(5-10)6-13-8/h6H,2-5,10H2,1H3
InChIKeyMRVVJIRDCDXIEO-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.63
Rot. Bonds3

About [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine

[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 116727873) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
PubChem CID116727873
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
SMILESCOC1(c2nc(CN)cs2)CCC1
InChIInChI=1S/C9H14N2OS/c1-12-9(3-2-4-9)8-11-7(5-10)6-13-8/h6H,2-5,10H2,1H3
InChIKeyMRVVJIRDCDXIEO-UHFFFAOYSA-N
XLogP1.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine (CID 116727873) is [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine is COC1(c2nc(CN)cs2)CCC1.
What is the InChIKey of [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is MRVVJIRDCDXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-9(3-2-4-9)8-11-7(5-10)6-13-8/h6H,2-5,10H2,1H3.
What are the key properties of [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine?
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 116727873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).