[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate

C11H17N3O3S — CID 130364618

IUPAC[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
SMILESCOC[C@H]1CCCN1Cc1cnc(OC(N)=O)s1
InChIInChI=1S/C11H17N3O3S/c1-16-7-8-3-2-4-14(8)6-9-5-13-11(18-9)17-10(12)15/h5,8H,2-4,6-7H2,1H3,(H2,12,15)/t8-/m1/s1
InChIKeyGUWIPLBOJVBCRV-MRVPVSSYSA-N
MW271.34 g/mol
LogP1.21
Rot. Bonds5

About [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate

[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate (PubChem CID 130364618) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate.

Molecular Properties

Compound Name[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
PubChem CID130364618
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
SMILESCOC[C@H]1CCCN1Cc1cnc(OC(N)=O)s1
InChIInChI=1S/C11H17N3O3S/c1-16-7-8-3-2-4-14(8)6-9-5-13-11(18-9)17-10(12)15/h5,8H,2-4,6-7H2,1H3,(H2,12,15)/t8-/m1/s1
InChIKeyGUWIPLBOJVBCRV-MRVPVSSYSA-N
XLogP1.21
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate?
The IUPAC name of [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate (CID 130364618) is [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate.
What is the SMILES notation for [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate?
The canonical SMILES for [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate is COC[C@H]1CCCN1Cc1cnc(OC(N)=O)s1.
What is the InChIKey of [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate?
The InChIKey is GUWIPLBOJVBCRV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-16-7-8-3-2-4-14(8)6-9-5-13-11(18-9)17-10(12)15/h5,8H,2-4,6-7H2,1H3,(H2,12,15)/t8-/m1/s1.
What are the key properties of [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate?
[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate has a molecular weight of 271.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate is sourced from PubChem (CID 130364618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).