(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

C19H19F2N5OS2 — CID 121476780

IUPAC(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCCC(F)(F)C4)cn3)n2)s1
InChIInChI=1S/C19H19F2N5OS2/c1-11-16(29-12(2)23-11)14-9-28-18(24-14)25-15-5-4-13(8-22-15)17(27)26-7-3-6-19(20,21)10-26/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,22,24,25)
InChIKeyPOFKAOVOYHQLLR-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.89
Rot. Bonds4

About (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 121476780) has the molecular formula C19H19F2N5OS2 and a molecular weight of 435.53 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
PubChem CID121476780
Molecular FormulaC19H19F2N5OS2
Molecular Weight435.53 g/mol
Exact Mass435.10
IUPAC Name(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCCC(F)(F)C4)cn3)n2)s1
InChIInChI=1S/C19H19F2N5OS2/c1-11-16(29-12(2)23-11)14-9-28-18(24-14)25-15-5-4-13(8-22-15)17(27)26-7-3-6-19(20,21)10-26/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,22,24,25)
InChIKeyPOFKAOVOYHQLLR-UHFFFAOYSA-N
XLogP4.89
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
CID 144983972
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]ethanone
CID 144814251
[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 144814731
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one
CID 134134519
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-(hydroxymethyl)-5-methylpiperidin-4-one
CID 144814808
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1S,5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 144814615
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476958
[3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121477040
tert-butyl 4-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2-hydroxy-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 144814426
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(4-hydroxypiperidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 144814489
9-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 134134782
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
CID 144984235

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (CID 121476780) is (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCCC(F)(F)C4)cn3)n2)s1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The InChIKey is POFKAOVOYHQLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5OS2/c1-11-16(29-12(2)23-11)14-9-28-18(24-14)25-15-5-4-13(8-22-15)17(27)26-7-3-6-19(20,21)10-26/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,22,24,25).
What are the key properties of (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 435.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 121476780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).