2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C26H28N6O2S — CID 59332332

IUPAC2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(N2CCOCC2)CC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C26H28N6O2S/c33-25(22-18-35-26(29-22)32-23-7-3-1-5-19(23)17-27-32)28-21-6-2-4-8-24(21)31-11-9-20(10-12-31)30-13-15-34-16-14-30/h1-8,17-18,20H,9-16H2,(H,28,33)
InChIKeySUHUIGLBGIRXBU-UHFFFAOYSA-N
MW488.62 g/mol
LogP4.04
Rot. Bonds5

About 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 59332332) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID59332332
Molecular FormulaC26H28N6O2S
Molecular Weight488.62 g/mol
Exact Mass488.20
IUPAC Name2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(N2CCOCC2)CC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C26H28N6O2S/c33-25(22-18-35-26(29-22)32-23-7-3-1-5-19(23)17-27-32)28-21-6-2-4-8-24(21)31-11-9-20(10-12-31)30-13-15-34-16-14-30/h1-8,17-18,20H,9-16H2,(H,28,33)
InChIKeySUHUIGLBGIRXBU-UHFFFAOYSA-N
XLogP4.04
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332404
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332463
2-indazol-1-yl-N-(4-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332392
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332076
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 59332457
N-(2-morpholin-4-ylphenyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3283646
N-[2-[4-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]piperazin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 67271184
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide
CID 117084002
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 59332171
N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 71101764

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 59332332) is 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCC(N2CCOCC2)CC1)c1csc(-n2ncc3ccccc32)n1.
What is the InChIKey of 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SUHUIGLBGIRXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c33-25(22-18-35-26(29-22)32-23-7-3-1-5-19(23)17-27-32)28-21-6-2-4-8-24(21)31-11-9-20(10-12-31)30-13-15-34-16-14-30/h1-8,17-18,20H,9-16H2,(H,28,33).
What are the key properties of 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).