tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate

C15H21N3O2S — CID 80998122

IUPACtert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)20-13(19)12-5-4-6-17(12)9-11-10-18-7-8-21-14(18)16-11/h7-8,10,12H,4-6,9H2,1-3H3/t12-/m0/s1
InChIKeyDZIXIUZCQGUYLD-LBPRGKRZSA-N
MW307.42 g/mol
LogP2.70
Rot. Bonds3

About tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate

tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 80998122) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID80998122
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Nametert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)20-13(19)12-5-4-6-17(12)9-11-10-18-7-8-21-14(18)16-11/h7-8,10,12H,4-6,9H2,1-3H3/t12-/m0/s1
InChIKeyDZIXIUZCQGUYLD-LBPRGKRZSA-N
XLogP2.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 96540784
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 115332595
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115331879
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
tert-butyl (2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115537639
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
tert-butyl (2R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80709145
tert-butyl (2R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 80710084

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate (CID 80998122) is tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cn2ccsc2n1.
What is the InChIKey of tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is DZIXIUZCQGUYLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,3)20-13(19)12-5-4-6-17(12)9-11-10-18-7-8-21-14(18)16-11/h7-8,10,12H,4-6,9H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 307.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80998122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).