1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one

C17H17FN6OS — CID 146272218

IUPAC1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
SMILESCNc1ncc(-c2nc3cnc(N4CCN(C)CC4=O)cc3s2)cc1F
InChIInChI=1S/C17H17FN6OS/c1-19-16-11(18)5-10(7-21-16)17-22-12-8-20-14(6-13(12)26-17)24-4-3-23(2)9-15(24)25/h5-8H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyUQBSQRPWTFVUGZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one

1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one (PubChem CID 146272218) has the molecular formula C17H17FN6OS and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
PubChem CID146272218
Molecular FormulaC17H17FN6OS
Molecular Weight372.43 g/mol
Exact Mass372.12
IUPAC Name1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
SMILESCNc1ncc(-c2nc3cnc(N4CCN(C)CC4=O)cc3s2)cc1F
InChIInChI=1S/C17H17FN6OS/c1-19-16-11(18)5-10(7-21-16)17-22-12-8-20-14(6-13(12)26-17)24-4-3-23(2)9-15(24)25/h5-8H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyUQBSQRPWTFVUGZ-UHFFFAOYSA-N
XLogP2.21
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one with MolForge

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Related Compounds

1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide
CID 174577285
1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-4-methylpiperazin-2-one
CID 69401490
[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl] acetate
CID 67276495
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
CID 117431151
ethane;N-ethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;propan-1-amine
CID 172595478
ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate
CID 24803563
1-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595362
2-[4-fluoro-6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]-1,3-benzothiazol-6-amine
CID 146253159
5-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 178169489
1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
CID 134595424
2-(3,4,5-trifluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470249

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one (CID 146272218) is 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one is CNc1ncc(-c2nc3cnc(N4CCN(C)CC4=O)cc3s2)cc1F.
What is the InChIKey of 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
The InChIKey is UQBSQRPWTFVUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6OS/c1-19-16-11(18)5-10(7-21-16)17-22-12-8-20-14(6-13(12)26-17)24-4-3-23(2)9-15(24)25/h5-8H,3-4,9H2,1-2H3,(H,19,21).
What are the key properties of 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-fluoro-6-(methylamino)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one is sourced from PubChem (CID 146272218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).