1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol

C10H16N2OS — CID 63934531

IUPAC1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nccs2)CCCC1
InChIInChI=1S/C10H16N2OS/c13-10(3-1-2-4-10)8-11-7-9-12-5-6-14-9/h5-6,11,13H,1-4,7-8H2
InChIKeyQYHKYRSLQJQUAR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.54
Rot. Bonds4

About 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol

1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol (PubChem CID 63934531) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
PubChem CID63934531
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nccs2)CCCC1
InChIInChI=1S/C10H16N2OS/c13-10(3-1-2-4-10)8-11-7-9-12-5-6-14-9/h5-6,11,13H,1-4,7-8H2
InChIKeyQYHKYRSLQJQUAR-UHFFFAOYSA-N
XLogP1.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol (CID 63934531) is 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol is OC1(CNCc2nccs2)CCCC1.
What is the InChIKey of 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
The InChIKey is QYHKYRSLQJQUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-10(3-1-2-4-10)8-11-7-9-12-5-6-14-9/h5-6,11,13H,1-4,7-8H2.
What are the key properties of 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 63934531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).