1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

C13H12N6S — CID 126900673

IUPAC1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3cn4ccsc4n3)C2)c1
InChIInChI=1S/C13H12N6S/c14-3-10-4-15-19(5-10)12-8-17(9-12)6-11-7-18-1-2-20-13(18)16-11/h1-2,4-5,7,12H,6,8-9H2
InChIKeyQNLCNDJQMMKOLQ-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.52
Rot. Bonds3

About 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126900673) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126900673
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(Cc3cn4ccsc4n3)C2)c1
InChIInChI=1S/C13H12N6S/c14-3-10-4-15-19(5-10)12-8-17(9-12)6-11-7-18-1-2-20-13(18)16-11/h1-2,4-5,7,12H,6,8-9H2
InChIKeyQNLCNDJQMMKOLQ-UHFFFAOYSA-N
XLogP1.52
TPSA62.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
CID 115332607
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334931
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110082
3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
CID 115279005
4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134025287
3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 115332616
3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile
CID 79004072

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile (CID 126900673) is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(Cc3cn4ccsc4n3)C2)c1.
What is the InChIKey of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is QNLCNDJQMMKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c14-3-10-4-15-19(5-10)12-8-17(9-12)6-11-7-18-1-2-20-13(18)16-11/h1-2,4-5,7,12H,6,8-9H2.
What are the key properties of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 284.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126900673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).