4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol

C22H27N5O2S2 — CID 144814345

IUPAC4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol
SMILESC=C1CCN(C=O)CC1.Cc1ccc(Nc2nc(-c3sc(C(C)O)nc3C)cs2)nc1
InChIInChI=1S/C15H16N4OS2.C7H11NO/c1-8-4-5-12(16-6-8)19-15-18-11(7-21-15)13-9(2)17-14(22-13)10(3)20;1-7-2-4-8(6-9)5-3-7/h4-7,10,20H,1-3H3,(H,16,18,19);6H,1-5H2
InChIKeySFSMZGUFUHERND-UHFFFAOYSA-N
MW457.63 g/mol
LogP4.87
Rot. Bonds5

About 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol

4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol (PubChem CID 144814345) has the molecular formula C22H27N5O2S2 and a molecular weight of 457.63 g/mol. Its IUPAC name is 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol
PubChem CID144814345
Molecular FormulaC22H27N5O2S2
Molecular Weight457.63 g/mol
Exact Mass457.16
IUPAC Name4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol
SMILESC=C1CCN(C=O)CC1.Cc1ccc(Nc2nc(-c3sc(C(C)O)nc3C)cs2)nc1
InChIInChI=1S/C15H16N4OS2.C7H11NO/c1-8-4-5-12(16-6-8)19-15-18-11(7-21-15)13-9(2)17-14(22-13)10(3)20;1-7-2-4-8(6-9)5-3-7/h4-7,10,20H,1-3H3,(H,16,18,19);6H,1-5H2
InChIKeySFSMZGUFUHERND-UHFFFAOYSA-N
XLogP4.87
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-8-[6-[[4-[2-[(1S)-1-hydroxyethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 121476968
[6-[[4-[2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-methylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone
CID 144814679
[(1S,5R)-3-amino-9-azabicyclo[3.3.1]nonan-9-yl]-[6-[[4-[2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 144814588
1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol
CID 144814339
[(5R)-3-(2-aminoethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-[6-[[4-[2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 144814433
[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
(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
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]ethanone
CID 144814251
N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 973178
4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867228
4-(4-fluorophenyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 972745
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476958

Frequently Asked Questions

What is the IUPAC name of 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol (CID 144814345) is 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol is C=C1CCN(C=O)CC1.Cc1ccc(Nc2nc(-c3sc(C(C)O)nc3C)cs2)nc1.
What is the InChIKey of 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is SFSMZGUFUHERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2.C7H11NO/c1-8-4-5-12(16-6-8)19-15-18-11(7-21-15)13-9(2)17-14(22-13)10(3)20;1-7-2-4-8(6-9)5-3-7/h4-7,10,20H,1-3H3,(H,16,18,19);6H,1-5H2.
What are the key properties of 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol?
4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 457.63 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepiperidine-1-carbaldehyde;1-[4-methyl-5-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 144814345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).