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

C12H20N2OS — CID 43670089

IUPAC4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
SMILESCc1nc(C(C)NC2CCC(O)CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-8(12-7-16-9(2)14-12)13-10-3-5-11(15)6-4-10/h7-8,10-11,13,15H,3-6H2,1-2H3
InChIKeyXFBBCSFQKXNSSJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.41
Rot. Bonds3

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

4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol (PubChem CID 43670089) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
PubChem CID43670089
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
SMILESCc1nc(C(C)NC2CCC(O)CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-8(12-7-16-9(2)14-12)13-10-3-5-11(15)6-4-10/h7-8,10-11,13,15H,3-6H2,1-2H3
InChIKeyXFBBCSFQKXNSSJ-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,5,5-tetramethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 103965737
2,2,6,6-tetramethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 43670213
N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241
tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238734
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43670189
4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
CID 91249306
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103782650
N-[(2-fluorophenyl)methyl]-4-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]piperidin-1-yl]benzamide
CID 42367841
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol (CID 43670089) is 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol is Cc1nc(C(C)NC2CCC(O)CC2)cs1.
What is the InChIKey of 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol?
The InChIKey is XFBBCSFQKXNSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(12-7-16-9(2)14-12)13-10-3-5-11(15)6-4-10/h7-8,10-11,13,15H,3-6H2,1-2H3.
What are the key properties of 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol?
4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 43670089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).