[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid

C13H20N2O3S — CID 19837941

IUPAC[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(O)c1nccs1
InChIInChI=1S/C13H20N2O3S/c16-11(12-14-6-7-19-12)10(15-13(17)18)8-9-4-2-1-3-5-9/h6-7,9-11,15-16H,1-5,8H2,(H,17,18)
InChIKeyWNVLJTXEMYADRZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.78
Rot. Bonds5

About [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid

[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid (PubChem CID 19837941) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid
PubChem CID19837941
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(O)c1nccs1
InChIInChI=1S/C13H20N2O3S/c16-11(12-14-6-7-19-12)10(15-13(17)18)8-9-4-2-1-3-5-9/h6-7,9-11,15-16H,1-5,8H2,(H,17,18)
InChIKeyWNVLJTXEMYADRZ-UHFFFAOYSA-N
XLogP2.78
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(1S,2R)-3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 22843376
benzyl N-[(2S)-1-[[2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-1-(2-methylpropoxy)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70041244
(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 22843366
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl]carbamic acid
CID 70055412
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95968026
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid
CID 91554374

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The IUPAC name of [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid (CID 19837941) is [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid is O=C(O)NC(CC1CCCCC1)C(O)c1nccs1.
What is the InChIKey of [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The InChIKey is WNVLJTXEMYADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-11(12-14-6-7-19-12)10(15-13(17)18)8-9-4-2-1-3-5-9/h6-7,9-11,15-16H,1-5,8H2,(H,17,18).
What are the key properties of [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid has a molecular weight of 284.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 19837941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).