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

C13H18N2O3S — CID 22151305

IUPAC[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(=O)c1nccs1
InChIInChI=1S/C13H18N2O3S/c16-11(12-14-6-7-19-12)10(15-13(17)18)8-9-4-2-1-3-5-9/h6-7,9-10,15H,1-5,8H2,(H,17,18)
InChIKeyZIWYYVWLJFJLPK-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.93
Rot. Bonds5

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

[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid (PubChem CID 22151305) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is [3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid
PubChem CID22151305
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(=O)c1nccs1
InChIInChI=1S/C13H18N2O3S/c16-11(12-14-6-7-19-12)10(15-13(17)18)8-9-4-2-1-3-5-9/h6-7,9-10,15H,1-5,8H2,(H,17,18)
InChIKeyZIWYYVWLJFJLPK-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The IUPAC name of [3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid (CID 22151305) is [3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [3-cyclohexyl-1-oxo-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-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The InChIKey is ZIWYYVWLJFJLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11(12-14-6-7-19-12)10(15-13(17)18)8-9-4-2-1-3-5-9/h6-7,9-10,15H,1-5,8H2,(H,17,18).
What are the key properties of [3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid has a molecular weight of 282.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 22151305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).