6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride

C18H20Cl3N5S — CID 140526385

IUPAC6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Clc1cnc(-c2cccc(Nc3ccc(N4CCCCC4)cn3)n2)s1
InChIInChI=1S/C18H18ClN5S.2ClH/c19-15-12-21-18(25-15)14-5-4-6-17(22-14)23-16-8-7-13(11-20-16)24-9-2-1-3-10-24;;/h4-8,11-12H,1-3,9-10H2,(H,20,22,23);2*1H
InChIKeyIWBVARGOGUPTQA-UHFFFAOYSA-N
MW444.82 g/mol
LogP5.83
Rot. Bonds4

About 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride

6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride (PubChem CID 140526385) has the molecular formula C18H20Cl3N5S and a molecular weight of 444.82 g/mol. Its IUPAC name is 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride
PubChem CID140526385
Molecular FormulaC18H20Cl3N5S
Molecular Weight444.82 g/mol
Exact Mass443.05
IUPAC Name6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Clc1cnc(-c2cccc(Nc3ccc(N4CCCCC4)cn3)n2)s1
InChIInChI=1S/C18H18ClN5S.2ClH/c19-15-12-21-18(25-15)14-5-4-6-17(22-14)23-16-8-7-13(11-20-16)24-9-2-1-3-10-24;;/h4-8,11-12H,1-3,9-10H2,(H,20,22,23);2*1H
InChIKeyIWBVARGOGUPTQA-UHFFFAOYSA-N
XLogP5.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.82
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride?
The IUPAC name of 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride (CID 140526385) is 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride is Cl.Cl.Clc1cnc(-c2cccc(Nc3ccc(N4CCCCC4)cn3)n2)s1.
What is the InChIKey of 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride?
The InChIKey is IWBVARGOGUPTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5S.2ClH/c19-15-12-21-18(25-15)14-5-4-6-17(22-14)23-16-8-7-13(11-20-16)24-9-2-1-3-10-24;;/h4-8,11-12H,1-3,9-10H2,(H,20,22,23);2*1H.
What are the key properties of 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride?
6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride has a molecular weight of 444.82 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-1,3-thiazol-2-yl)-N-(5-piperidin-1-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 140526385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).