2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol

C12H20N2OS — CID 61280431

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol
SMILESCc1ncc(CNC2CCCCCC2O)s1
InChIInChI=1S/C12H20N2OS/c1-9-13-7-10(16-9)8-14-11-5-3-2-4-6-12(11)15/h7,11-12,14-15H,2-6,8H2,1H3
InChIKeyUJAOTFWMSYJIIQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.23
Rot. Bonds3

About 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol (PubChem CID 61280431) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol
PubChem CID61280431
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol
SMILESCc1ncc(CNC2CCCCCC2O)s1
InChIInChI=1S/C12H20N2OS/c1-9-13-7-10(16-9)8-14-11-5-3-2-4-6-12(11)15/h7,11-12,14-15H,2-6,8H2,1H3
InChIKeyUJAOTFWMSYJIIQ-UHFFFAOYSA-N
XLogP2.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol (CID 61280431) is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol is Cc1ncc(CNC2CCCCCC2O)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol?
The InChIKey is UJAOTFWMSYJIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-13-7-10(16-9)8-14-11-5-3-2-4-6-12(11)15/h7,11-12,14-15H,2-6,8H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol?
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 61280431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).