methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate

C10H14N2O2S — CID 110459477

IUPACmethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C10H14N2O2S/c1-14-10(13)11-6-5-9-12-7-3-2-4-8(7)15-9/h2-6H2,1H3,(H,11,13)
InChIKeyMBAMJCMBXYTVSX-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.53
Rot. Bonds3

About methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate

methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate (PubChem CID 110459477) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
PubChem CID110459477
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C10H14N2O2S/c1-14-10(13)11-6-5-9-12-7-3-2-4-8(7)15-9/h2-6H2,1H3,(H,11,13)
InChIKeyMBAMJCMBXYTVSX-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate (CID 110459477) is methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate is COC(=O)NCCc1nc2c(s1)CCC2.
What is the InChIKey of methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate?
The InChIKey is MBAMJCMBXYTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-10(13)11-6-5-9-12-7-3-2-4-8(7)15-9/h2-6H2,1H3,(H,11,13).
What are the key properties of methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate?
methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate has a molecular weight of 226.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 110459477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).