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

C18H17N5O2S — CID 11639223

IUPAC1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCC2=O)cn1
InChIInChI=1S/C18H17N5O2S/c1-25-14-6-5-13(18-19-8-10-26-18)21-17(14)22-15-7-4-12(11-20-15)23-9-2-3-16(23)24/h4-8,10-11H,2-3,9H2,1H3,(H,20,21,22)
InChIKeyHWLLITOAEZIKFT-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.48
Rot. Bonds5

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

1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one (PubChem CID 11639223) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one
PubChem CID11639223
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCC2=O)cn1
InChIInChI=1S/C18H17N5O2S/c1-25-14-6-5-13(18-19-8-10-26-18)21-17(14)22-15-7-4-12(11-20-15)23-9-2-3-16(23)24/h4-8,10-11H,2-3,9H2,1H3,(H,20,21,22)
InChIKeyHWLLITOAEZIKFT-UHFFFAOYSA-N
XLogP3.48
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

CID 46872177
CID 46872177
CID 122180515
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CID 122180516
CID 122180516
CID 122180517
CID 122180517
CID 122180518
CID 122180518
CID 90403378
CID 90403378
CID 121477020
CID 121477020
CID 122192401
CID 122192401
CID 18567649
CID 18567649
CID 155230498
CID 155230498
CID 129052573
CID 129052573
CID 130299324
CID 130299324

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one (CID 11639223) is 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one is COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCC2=O)cn1.
What is the InChIKey of 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is HWLLITOAEZIKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-25-14-6-5-13(18-19-8-10-26-18)21-17(14)22-15-7-4-12(11-20-15)23-9-2-3-16(23)24/h4-8,10-11H,2-3,9H2,1H3,(H,20,21,22).
What are the key properties of 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one?
1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 367.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 11639223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).