tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate

C17H26N2O3S — CID 14796006

IUPACtert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)c1nccs1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)19-13(11-12-7-5-4-6-8-12)14(20)15-18-9-10-23-15/h9-10,12-13H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyNJZZYYLHWCCAQK-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate

tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate (PubChem CID 14796006) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
PubChem CID14796006
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)c1nccs1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)19-13(11-12-7-5-4-6-8-12)14(20)15-18-9-10-23-15/h9-10,12-13H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyNJZZYYLHWCCAQK-UHFFFAOYSA-N
XLogP4.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate (CID 14796006) is tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)c1nccs1.
What is the InChIKey of tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
The InChIKey is NJZZYYLHWCCAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)19-13(11-12-7-5-4-6-8-12)14(20)15-18-9-10-23-15/h9-10,12-13H,4-8,11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate has a molecular weight of 338.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 14796006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).