(2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate

C14H22N2O2S — CID 142817848

IUPAC(2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
SMILESCC(C)c1ncc(COC(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-10(2)13-15-8-12(19-13)9-18-14(17)16-11-6-4-3-5-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyLIVHFHUJLNKNNV-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.83
Rot. Bonds4

About (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate

(2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate (PubChem CID 142817848) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
PubChem CID142817848
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate
SMILESCC(C)c1ncc(COC(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-10(2)13-15-8-12(19-13)9-18-14(17)16-11-6-4-3-5-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyLIVHFHUJLNKNNV-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
The IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate (CID 142817848) is (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate.
What is the SMILES notation for (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
The canonical SMILES for (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate is CC(C)c1ncc(COC(=O)NC2CCCCC2)s1.
What is the InChIKey of (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
The InChIKey is LIVHFHUJLNKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)13-15-8-12(19-13)9-18-14(17)16-11-6-4-3-5-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,16,17).
What are the key properties of (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate?
(2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate has a molecular weight of 282.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-thiazol-5-yl)methyl N-cyclohexylcarbamate is sourced from PubChem (CID 142817848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).