5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile

C14H16ClN5S — CID 56795550

IUPAC5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC1CN=C(N2CCN(c3ncc(C#N)cc3Cl)CC2)S1
InChIInChI=1S/C14H16ClN5S/c1-10-8-18-14(21-10)20-4-2-19(3-5-20)13-12(15)6-11(7-16)9-17-13/h6,9-10H,2-5,8H2,1H3
InChIKeyZYJLNEYMYRISDU-UHFFFAOYSA-N
MW321.84 g/mol
LogP2.22
Rot. Bonds1

About 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 56795550) has the molecular formula C14H16ClN5S and a molecular weight of 321.84 g/mol. Its IUPAC name is 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID56795550
Molecular FormulaC14H16ClN5S
Molecular Weight321.84 g/mol
Exact Mass321.08
IUPAC Name5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC1CN=C(N2CCN(c3ncc(C#N)cc3Cl)CC2)S1
InChIInChI=1S/C14H16ClN5S/c1-10-8-18-14(21-10)20-4-2-19(3-5-20)13-12(15)6-11(7-16)9-17-13/h6,9-10H,2-5,8H2,1H3
InChIKeyZYJLNEYMYRISDU-UHFFFAOYSA-N
XLogP2.22
TPSA55.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154882666
2-[4-(3-chloro-5-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 136513118
6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
CID 155974931
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 139027073
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 122160364
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
CID 123677104
5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 163343448
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
3-chloro-4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107809173
N-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582684
5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902390

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 56795550) is 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile is CC1CN=C(N2CCN(c3ncc(C#N)cc3Cl)CC2)S1.
What is the InChIKey of 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZYJLNEYMYRISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5S/c1-10-8-18-14(21-10)20-4-2-19(3-5-20)13-12(15)6-11(7-16)9-17-13/h6,9-10H,2-5,8H2,1H3.
What are the key properties of 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 321.84 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).