[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol

C9H15N3OS — CID 120902030

IUPAC[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol
SMILESNc1ncc(CNC2(CO)CCC2)s1
InChIInChI=1S/C9H15N3OS/c10-8-11-4-7(14-8)5-12-9(6-13)2-1-3-9/h4,12-13H,1-3,5-6H2,(H2,10,11)
InChIKeyUAUGOZYHEARPQE-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.73
Rot. Bonds4

About [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol

[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol (PubChem CID 120902030) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol
PubChem CID120902030
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol
SMILESNc1ncc(CNC2(CO)CCC2)s1
InChIInChI=1S/C9H15N3OS/c10-8-11-4-7(14-8)5-12-9(6-13)2-1-3-9/h4,12-13H,1-3,5-6H2,(H2,10,11)
InChIKeyUAUGOZYHEARPQE-UHFFFAOYSA-N
XLogP0.73
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol (CID 120902030) is [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol is Nc1ncc(CNC2(CO)CCC2)s1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol?
The InChIKey is UAUGOZYHEARPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-8-11-4-7(14-8)5-12-9(6-13)2-1-3-9/h4,12-13H,1-3,5-6H2,(H2,10,11).
What are the key properties of [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol?
[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol has a molecular weight of 213.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 120902030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).