6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

C16H17N7S — CID 95139732

IUPAC6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCc1cn2nc(N3CC[C@@H](CNc4ccc(C#N)cn4)C3)sc2n1
InChIInChI=1S/C16H17N7S/c1-11-9-23-15(20-11)24-16(21-23)22-5-4-13(10-22)8-19-14-3-2-12(6-17)7-18-14/h2-3,7,9,13H,4-5,8,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyNKCWZKWDWVDZET-ZDUSSCGKSA-N
MW339.43 g/mol
LogP2.30
Rot. Bonds4

About 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 95139732) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID95139732
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCc1cn2nc(N3CC[C@@H](CNc4ccc(C#N)cn4)C3)sc2n1
InChIInChI=1S/C16H17N7S/c1-11-9-23-15(20-11)24-16(21-23)22-5-4-13(10-22)8-19-14-3-2-12(6-17)7-18-14/h2-3,7,9,13H,4-5,8,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyNKCWZKWDWVDZET-ZDUSSCGKSA-N
XLogP2.30
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile 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

3-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 95142462
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155
2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide
CID 167756721
6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 63896552
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145761
6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95154585
6-[[(3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145221
2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95138569
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
(2S)-2-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-2-phenylacetamide
CID 95138592
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
CID 174274469
2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 125142174

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 95139732) is 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is Cc1cn2nc(N3CC[C@@H](CNc4ccc(C#N)cn4)C3)sc2n1.
What is the InChIKey of 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is NKCWZKWDWVDZET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N7S/c1-11-9-23-15(20-11)24-16(21-23)22-5-4-13(10-22)8-19-14-3-2-12(6-17)7-18-14/h2-3,7,9,13H,4-5,8,10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 339.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95139732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).