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

C11H18N2OS — CID 96824330

IUPAC4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
SMILESC[C@H](NC1CCC(O)CC1)c1nccs1
InChIInChI=1S/C11H18N2OS/c1-8(11-12-6-7-15-11)13-9-2-4-10(14)5-3-9/h6-10,13-14H,2-5H2,1H3/t8-,9?,10?/m0/s1
InChIKeyRRXGKWBZRILWCZ-IDKOKCKLSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds3

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

4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol (PubChem CID 96824330) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
PubChem CID96824330
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
SMILESC[C@H](NC1CCC(O)CC1)c1nccs1
InChIInChI=1S/C11H18N2OS/c1-8(11-12-6-7-15-11)13-9-2-4-10(14)5-3-9/h6-10,13-14H,2-5H2,1H3/t8-,9?,10?/m0/s1
InChIKeyRRXGKWBZRILWCZ-IDKOKCKLSA-N
XLogP2.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
CID 65090996
N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130941268
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745635
1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459169
3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271556
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
2,2,6,6-tetramethyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 64988734
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340
7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864698

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol (CID 96824330) is 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol is C[C@H](NC1CCC(O)CC1)c1nccs1.
What is the InChIKey of 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol?
The InChIKey is RRXGKWBZRILWCZ-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(11-12-6-7-15-11)13-9-2-4-10(14)5-3-9/h6-10,13-14H,2-5H2,1H3/t8-,9?,10?/m0/s1.
What are the key properties of 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol?
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 96824330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).