cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate

C17H20N2O2S — CID 162664680

IUPACcyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESO=C(NCCc1csc(-c2ccccc2)n1)OC1CCCC1
InChIInChI=1S/C17H20N2O2S/c20-17(21-15-8-4-5-9-15)18-11-10-14-12-22-16(19-14)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2,(H,18,20)
InChIKeyQOSBXTQGCNGMRN-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.02
Rot. Bonds5

About cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate

cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 162664680) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID162664680
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Namecyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESO=C(NCCc1csc(-c2ccccc2)n1)OC1CCCC1
InChIInChI=1S/C17H20N2O2S/c20-17(21-15-8-4-5-9-15)18-11-10-14-12-22-16(19-14)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2,(H,18,20)
InChIKeyQOSBXTQGCNGMRN-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate (CID 162664680) is cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate is O=C(NCCc1csc(-c2ccccc2)n1)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is QOSBXTQGCNGMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(21-15-8-4-5-9-15)18-11-10-14-12-22-16(19-14)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2,(H,18,20).
What are the key properties of cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 316.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 162664680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).