1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile

C11H12N4S — CID 115331828

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C11H12N4S/c12-6-10-2-1-3-14(10)7-9-8-15-4-5-16-11(15)13-9/h4-5,8,10H,1-3,7H2
InChIKeyUSQYFLFNWBDRFB-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.88
Rot. Bonds2

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile (PubChem CID 115331828) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
PubChem CID115331828
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C11H12N4S/c12-6-10-2-1-3-14(10)7-9-8-15-4-5-16-11(15)13-9/h4-5,8,10H,1-3,7H2
InChIKeyUSQYFLFNWBDRFB-UHFFFAOYSA-N
XLogP1.88
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
CID 115332607
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115331879
tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
CID 80998122
[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 96540784
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 115332080
6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334931
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile (CID 115331828) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile is N#CC1CCCN1Cc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile?
The InChIKey is USQYFLFNWBDRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c12-6-10-2-1-3-14(10)7-9-8-15-4-5-16-11(15)13-9/h4-5,8,10H,1-3,7H2.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile has a molecular weight of 232.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 115331828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).