6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

C19H23N7S — CID 133286764

IUPAC6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)(C)c1cn2nc(NC3CCN(c4ccc(C#N)cn4)CC3)sc2n1
InChIInChI=1S/C19H23N7S/c1-19(2,3)15-12-26-18(23-15)27-17(24-26)22-14-6-8-25(9-7-14)16-5-4-13(10-20)11-21-16/h4-5,11-12,14H,6-9H2,1-3H3,(H,22,24)
InChIKeyBYYAKZQKCSTTBF-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.44
Rot. Bonds3

About 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133286764) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133286764
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC Name6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)(C)c1cn2nc(NC3CCN(c4ccc(C#N)cn4)CC3)sc2n1
InChIInChI=1S/C19H23N7S/c1-19(2,3)15-12-26-18(23-15)27-17(24-26)22-14-6-8-25(9-7-14)16-5-4-13(10-20)11-21-16/h4-5,11-12,14H,6-9H2,1-3H3,(H,22,24)
InChIKeyBYYAKZQKCSTTBF-UHFFFAOYSA-N
XLogP3.44
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133336089
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133401190
2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 55544817
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110743
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 133286764) is 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is CC(C)(C)c1cn2nc(NC3CCN(c4ccc(C#N)cn4)CC3)sc2n1.
What is the InChIKey of 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is BYYAKZQKCSTTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7S/c1-19(2,3)15-12-26-18(23-15)27-17(24-26)22-14-6-8-25(9-7-14)16-5-4-13(10-20)11-21-16/h4-5,11-12,14H,6-9H2,1-3H3,(H,22,24).
What are the key properties of 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 381.51 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133286764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).