[4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol

C17H28N2O2S — CID 123338666

IUPAC[4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol
SMILESCc1sc(C(O)NC2CCOCC2)nc1CC1CCCCC1
InChIInChI=1S/C17H28N2O2S/c1-12-15(11-13-5-3-2-4-6-13)19-17(22-12)16(20)18-14-7-9-21-10-8-14/h13-14,16,18,20H,2-11H2,1H3
InChIKeyFVWCLPHYDBFXQN-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.33
Rot. Bonds5

About [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol

[4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol (PubChem CID 123338666) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol
PubChem CID123338666
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name[4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol
SMILESCc1sc(C(O)NC2CCOCC2)nc1CC1CCCCC1
InChIInChI=1S/C17H28N2O2S/c1-12-15(11-13-5-3-2-4-6-13)19-17(22-12)16(20)18-14-7-9-21-10-8-14/h13-14,16,18,20H,2-11H2,1H3
InChIKeyFVWCLPHYDBFXQN-UHFFFAOYSA-N
XLogP3.33
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine
CID 61334675
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-2-amine
CID 62385435
5-[3-tert-butyl-5-(2-methoxypropan-2-yl)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118186007
1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol
CID 116867651
4-(cyclohexylmethyl)-5-[2-(2,2-dimethylpropylamino)-6-(trifluoromethyl)-4-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118185827
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine
CID 55241841
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
1-(5-methyl-4-propyl-1,3-thiazol-2-yl)ethanol
CID 116867604
5-[4-(tert-butylsulfamoyl)-3-(difluoromethoxy)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118188720
5-[3-tert-butyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 123974818
5-[3-(tert-butylcarbamoyl)-5-chlorophenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118186033
5-[3-tert-butyl-5-(1,1,1-trifluoro-2-methoxypropan-2-yl)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118188732

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol?
The IUPAC name of [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol (CID 123338666) is [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol.
What is the SMILES notation for [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol?
The canonical SMILES for [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol is Cc1sc(C(O)NC2CCOCC2)nc1CC1CCCCC1.
What is the InChIKey of [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol?
The InChIKey is FVWCLPHYDBFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-12-15(11-13-5-3-2-4-6-13)19-17(22-12)16(20)18-14-7-9-21-10-8-14/h13-14,16,18,20H,2-11H2,1H3.
What are the key properties of [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol?
[4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol has a molecular weight of 324.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol is sourced from PubChem (CID 123338666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).