3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol

C9H14N2OS — CID 131118845

IUPAC3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccsn2)C1
InChIInChI=1S/C9H14N2OS/c10-7-2-1-4-9(12,6-7)8-3-5-13-11-8/h3,5,7,12H,1-2,4,6,10H2
InChIKeyMYUATIOFIOOLTI-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.23
Rot. Bonds1

About 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol

3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol (PubChem CID 131118845) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
PubChem CID131118845
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccsn2)C1
InChIInChI=1S/C9H14N2OS/c10-7-2-1-4-9(12,6-7)8-3-5-13-11-8/h3,5,7,12H,1-2,4,6,10H2
InChIKeyMYUATIOFIOOLTI-UHFFFAOYSA-N
XLogP1.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
1-(1,2-Thiazol-3-yl)cyclohex-2-en-1-ol
CID 130649840
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
3-Amino-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130952214
1-Pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol
CID 131003149
1-Piperidin-3-yl-1-(1,2-thiazol-3-yl)ethanol
CID 131008348
1-Amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 131048608
4-(Methylamino)-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 131214111
4-Ethyl-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165962017

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol (CID 131118845) is 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol is NC1CCCC(O)(c2ccsn2)C1.
What is the InChIKey of 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol?
The InChIKey is MYUATIOFIOOLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-7-2-1-4-9(12,6-7)8-3-5-13-11-8/h3,5,7,12H,1-2,4,6,10H2.
What are the key properties of 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol?
3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 131118845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).