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

C15H25N3O3S — CID 141485082

IUPACtert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC[C@H]1CCCN1Cc1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)21-14(19)17-13-16-8-12(22-13)9-18-7-5-6-11(18)10-20-4/h8,11H,5-7,9-10H2,1-4H3,(H,16,17,19)/t11-/m1/s1
InChIKeySMCQFHMKPHIWSE-LLVKDONJSA-N
MW327.45 g/mol
LogP3.10
Rot. Bonds5

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

tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 141485082) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID141485082
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC[C@H]1CCCN1Cc1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)21-14(19)17-13-16-8-12(22-13)9-18-7-5-6-11(18)10-20-4/h8,11H,5-7,9-10H2,1-4H3,(H,16,17,19)/t11-/m1/s1
InChIKeySMCQFHMKPHIWSE-LLVKDONJSA-N
XLogP3.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate (CID 141485082) is tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate is COC[C@H]1CCCN1Cc1cnc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is SMCQFHMKPHIWSE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-15(2,3)21-14(19)17-13-16-8-12(22-13)9-18-7-5-6-11(18)10-20-4/h8,11H,5-7,9-10H2,1-4H3,(H,16,17,19)/t11-/m1/s1.
What are the key properties of tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 141485082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).