(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol

C12H20N2OS — CID 103854799

IUPAC(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESC[C@H](CCO)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C12H20N2OS/c1-9(5-6-15)13-7-11-8-14-12(16-11)10-3-2-4-10/h8-10,13,15H,2-7H2,1H3/t9-/m1/s1
InChIKeyFEJCNXKKIOSISY-SECBINFHSA-N
MW240.37 g/mol
LogP2.27
Rot. Bonds6

About (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol

(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (PubChem CID 103854799) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
PubChem CID103854799
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESC[C@H](CCO)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C12H20N2OS/c1-9(5-6-15)13-7-11-8-14-12(16-11)10-3-2-4-10/h8-10,13,15H,2-7H2,1H3/t9-/m1/s1
InChIKeyFEJCNXKKIOSISY-SECBINFHSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The IUPAC name of (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (CID 103854799) is (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is C[C@H](CCO)NCc1cnc(C2CCC2)s1.
What is the InChIKey of (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The InChIKey is FEJCNXKKIOSISY-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(5-6-15)13-7-11-8-14-12(16-11)10-3-2-4-10/h8-10,13,15H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 103854799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).