[(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol

C11H19N3OS — CID 135292059

IUPAC[(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol
SMILESCC(C)(C)c1csc(NC(O)[C@@H]2CCN2)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)8-6-16-10(13-8)14-9(15)7-4-5-12-7/h6-7,9,12,15H,4-5H2,1-3H3,(H,13,14)/t7-,9?/m0/s1
InChIKeyPTPIOWTUMPMRQJ-JAVCKPHESA-N
MW241.36 g/mol
LogP1.53
Rot. Bonds3

About [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol

[(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol (PubChem CID 135292059) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol.

Molecular Properties

Compound Name[(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol
PubChem CID135292059
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol
SMILESCC(C)(C)c1csc(NC(O)[C@@H]2CCN2)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)8-6-16-10(13-8)14-9(15)7-4-5-12-7/h6-7,9,12,15H,4-5H2,1-3H3,(H,13,14)/t7-,9?/m0/s1
InChIKeyPTPIOWTUMPMRQJ-JAVCKPHESA-N
XLogP1.53
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol?
The IUPAC name of [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol (CID 135292059) is [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol.
What is the SMILES notation for [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol?
The canonical SMILES for [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol is CC(C)(C)c1csc(NC(O)[C@@H]2CCN2)n1.
What is the InChIKey of [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol?
The InChIKey is PTPIOWTUMPMRQJ-JAVCKPHESA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)8-6-16-10(13-8)14-9(15)7-4-5-12-7/h6-7,9,12,15H,4-5H2,1-3H3,(H,13,14)/t7-,9?/m0/s1.
What are the key properties of [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol?
[(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol is sourced from PubChem (CID 135292059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).