1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride

C17H17Cl2N5OS — CID 69231638

IUPAC1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1c1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C17H15N5OS.2ClH/c23-16-5-2-9-22(16)12-6-7-14(19-11-12)21-15-4-1-3-13(20-15)17-18-8-10-24-17;;/h1,3-4,6-8,10-11H,2,5,9H2,(H,19,20,21);2*1H
InChIKeyWGQFZUZVBOCMPO-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.31
Rot. Bonds4

About 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride

1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 69231638) has the molecular formula C17H17Cl2N5OS and a molecular weight of 410.33 g/mol. Its IUPAC name is 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
PubChem CID69231638
Molecular FormulaC17H17Cl2N5OS
Molecular Weight410.33 g/mol
Exact Mass409.05
IUPAC Name1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1c1ccc(Nc2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C17H15N5OS.2ClH/c23-16-5-2-9-22(16)12-6-7-14(19-11-12)21-15-4-1-3-13(20-15)17-18-8-10-24-17;;/h1,3-4,6-8,10-11H,2,5,9H2,(H,19,20,21);2*1H
InChIKeyWGQFZUZVBOCMPO-UHFFFAOYSA-N
XLogP4.31
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride with MolForge

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Related Compounds

1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
CID 69399968
1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one
CID 69401490
N-[5-[(tert-butylamino)methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
CID 69232630
N-(5-ethyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
CID 69233935
[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]methanol
CID 69231355
N-(5-propyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
CID 174524706
N-[5-(2-phenylmethoxyethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
CID 140526366
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine
CID 69235206
N-[5-[[benzyl(ethyl)amino]methyl]-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine
CID 172782021
3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
CID 11681884
4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one
CID 69235142

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride (CID 69231638) is 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1CCCN1c1ccc(Nc2cccc(-c3nccs3)n2)nc1.
What is the InChIKey of 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is WGQFZUZVBOCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS.2ClH/c23-16-5-2-9-22(16)12-6-7-14(19-11-12)21-15-4-1-3-13(20-15)17-18-8-10-24-17;;/h1,3-4,6-8,10-11H,2,5,9H2,(H,19,20,21);2*1H.
What are the key properties of 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 410.33 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 69231638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).