3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile

C15H16ClN5S — CID 56796844

IUPAC3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C15H16ClN5S/c16-14-12(8-17)15(22-20-14)19-10-11-4-5-13(18-9-11)21-6-2-1-3-7-21/h4-5,9,19H,1-3,6-7,10H2
InChIKeyPRBWYVLARMTDRJ-UHFFFAOYSA-N
MW333.85 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 56796844) has the molecular formula C15H16ClN5S and a molecular weight of 333.85 g/mol. Its IUPAC name is 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID56796844
Molecular FormulaC15H16ClN5S
Molecular Weight333.85 g/mol
Exact Mass333.08
IUPAC Name3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C15H16ClN5S/c16-14-12(8-17)15(22-20-14)19-10-11-4-5-13(18-9-11)21-6-2-1-3-7-21/h4-5,9,19H,1-3,6-7,10H2
InChIKeyPRBWYVLARMTDRJ-UHFFFAOYSA-N
XLogP3.67
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-6-fluorobenzonitrile
CID 60504847
3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 56815452
(3S)-1-[4-[[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94526893
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133317599
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
CID 133317555
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 55703524
3-chloro-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]benzonitrile
CID 133317369
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile (CID 56796844) is 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is PRBWYVLARMTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5S/c16-14-12(8-17)15(22-20-14)19-10-11-4-5-13(18-9-11)21-6-2-1-3-7-21/h4-5,9,19H,1-3,6-7,10H2.
What are the key properties of 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 333.85 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 56796844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).