1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol

C10H16N2OS — CID 87756407

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol
SMILESNc1nc(CC2(O)CCCCC2)cs1
InChIInChI=1S/C10H16N2OS/c11-9-12-8(7-14-9)6-10(13)4-2-1-3-5-10/h7,13H,1-6H2,(H2,11,12)
InChIKeyKOSHTOCNCABFFO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.96
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol

1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol (PubChem CID 87756407) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol
PubChem CID87756407
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol
SMILESNc1nc(CC2(O)CCCCC2)cs1
InChIInChI=1S/C10H16N2OS/c11-9-12-8(7-14-9)6-10(13)4-2-1-3-5-10/h7,13H,1-6H2,(H2,11,12)
InChIKeyKOSHTOCNCABFFO-UHFFFAOYSA-N
XLogP1.96
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol (CID 87756407) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol is Nc1nc(CC2(O)CCCCC2)cs1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is KOSHTOCNCABFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-9-12-8(7-14-9)6-10(13)4-2-1-3-5-10/h7,13H,1-6H2,(H2,11,12).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol?
1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 87756407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).