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

C14H23N3O3S — CID 174862620

IUPACtert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCO[C@@H]1CCCN1Cc1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-13(18)16-12-15-8-10(21-12)9-17-7-5-6-11(17)19-4/h8,11H,5-7,9H2,1-4H3,(H,15,16,18)/t11-/m1/s1
InChIKeyZRKRXFLREBJIEX-LLVKDONJSA-N
MW313.42 g/mol
LogP3.06
Rot. Bonds4

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

tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 174862620) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID174862620
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nametert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCO[C@@H]1CCCN1Cc1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-13(18)16-12-15-8-10(21-12)9-17-7-5-6-11(17)19-4/h8,11H,5-7,9H2,1-4H3,(H,15,16,18)/t11-/m1/s1
InChIKeyZRKRXFLREBJIEX-LLVKDONJSA-N
XLogP3.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
CID 1258070
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771450
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
(2S,3S)-3-[[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]-2-methylpyrrolidine-1-carboxylic acid
CID 118980555
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
(2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide
CID 118980272
N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 165082552
ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771652
1-cyano-N-[5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 130364549
3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]ethyl]-4-oxoazetidine-2-carboxylic acid
CID 118294559
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate (CID 174862620) is tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate is CO[C@@H]1CCCN1Cc1cnc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is ZRKRXFLREBJIEX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)20-13(18)16-12-15-8-10(21-12)9-17-7-5-6-11(17)19-4/h8,11H,5-7,9H2,1-4H3,(H,15,16,18)/t11-/m1/s1.
What are the key properties of tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 313.42 g/mol, XLogP of 3.06, 4 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-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 174862620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).