1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride

C17H16Cl3N5OS — CID 69399968

IUPAC1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1c1ccc(Nc2cccc(-c3ncc(Cl)s3)n2)nc1
InChIInChI=1S/C17H14ClN5OS.2ClH/c18-13-10-20-17(25-13)12-3-1-4-15(21-12)22-14-7-6-11(9-19-14)23-8-2-5-16(23)24;;/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21,22);2*1H
InChIKeyOJXWZOPPMWPOLS-UHFFFAOYSA-N
MW444.78 g/mol
LogP4.97
Rot. Bonds4

About 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride

1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 69399968) has the molecular formula C17H16Cl3N5OS and a molecular weight of 444.78 g/mol. Its IUPAC name is 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
PubChem CID69399968
Molecular FormulaC17H16Cl3N5OS
Molecular Weight444.78 g/mol
Exact Mass443.01
IUPAC Name1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1c1ccc(Nc2cccc(-c3ncc(Cl)s3)n2)nc1
InChIInChI=1S/C17H14ClN5OS.2ClH/c18-13-10-20-17(25-13)12-3-1-4-15(21-12)22-14-7-6-11(9-19-14)23-8-2-5-16(23)24;;/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21,22);2*1H
InChIKeyOJXWZOPPMWPOLS-UHFFFAOYSA-N
XLogP4.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.78
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[6-(5-chloro-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]-4-methylpiperazin-2-one
CID 69401490
1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
CID 69231638
N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
CID 69235905
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126783097
4-methyl-1-[6-[(6-pyrazol-1-yl-2-pyridinyl)amino]-3-pyridinyl]piperazin-2-one
CID 69235142
8-methoxy-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]naphthalene-1-carboxamide
CID 167768311
1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-3-pyridin-3-ylurea
CID 58150071
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126769141
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one
CID 68522866
N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide
CID 139011136

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride (CID 69399968) is 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1CCCN1c1ccc(Nc2cccc(-c3ncc(Cl)s3)n2)nc1.
What is the InChIKey of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is OJXWZOPPMWPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5OS.2ClH/c18-13-10-20-17(25-13)12-3-1-4-15(21-12)22-14-7-6-11(9-19-14)23-8-2-5-16(23)24;;/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21,22);2*1H.
What are the key properties of 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride?
1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 444.78 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 69399968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).