[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol

C16H21N3OS — CID 62521004

IUPAC[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2csc(-c3ccccn3)n2)CCCCC1
InChIInChI=1S/C16H21N3OS/c20-12-16(7-3-1-4-8-16)18-10-13-11-21-15(19-13)14-6-2-5-9-17-14/h2,5-6,9,11,18,20H,1,3-4,7-8,10,12H2
InChIKeyMVTFMGARYNIJGA-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.99
Rot. Bonds5

About [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol

[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 62521004) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID62521004
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2csc(-c3ccccn3)n2)CCCCC1
InChIInChI=1S/C16H21N3OS/c20-12-16(7-3-1-4-8-16)18-10-13-11-21-15(19-13)14-6-2-5-9-17-14/h2,5-6,9,11,18,20H,1,3-4,7-8,10,12H2
InChIKeyMVTFMGARYNIJGA-UHFFFAOYSA-N
XLogP2.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol (CID 62521004) is [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol is OCC1(NCc2csc(-c3ccccn3)n2)CCCCC1.
What is the InChIKey of [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is MVTFMGARYNIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-12-16(7-3-1-4-8-16)18-10-13-11-21-15(19-13)14-6-2-5-9-17-14/h2,5-6,9,11,18,20H,1,3-4,7-8,10,12H2.
What are the key properties of [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol?
[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 303.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62521004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).