5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C27H33N5O4S — CID 177214058

IUPAC5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3nc(C4=CCCC=C4COC4CCOCC4)cs3)nc2)CC1
InChIInChI=1S/C27H33N5O4S/c1-19(33)31-10-12-32(13-11-31)21-6-7-24(28-16-21)26(34)30-27-29-25(18-37-27)23-5-3-2-4-20(23)17-36-22-8-14-35-15-9-22/h4-7,16,18,22H,2-3,8-15,17H2,1H3,(H,29,30,34)
InChIKeySFNLVGDAAAQMET-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.76
Rot. Bonds7

About 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 177214058) has the molecular formula C27H33N5O4S and a molecular weight of 523.66 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID177214058
Molecular FormulaC27H33N5O4S
Molecular Weight523.66 g/mol
Exact Mass523.23
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3nc(C4=CCCC=C4COC4CCOCC4)cs3)nc2)CC1
InChIInChI=1S/C27H33N5O4S/c1-19(33)31-10-12-32(13-11-31)21-6-7-24(28-16-21)26(34)30-27-29-25(18-37-27)23-5-3-2-4-20(23)17-36-22-8-14-35-15-9-22/h4-7,16,18,22H,2-3,8-15,17H2,1H3,(H,29,30,34)
InChIKeySFNLVGDAAAQMET-UHFFFAOYSA-N
XLogP3.76
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

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5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
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5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
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N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
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N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide
CID 162386884
N-butan-2-yl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109181400
tert-butyl 6-[6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 177214058) is 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3nc(C4=CCCC=C4COC4CCOCC4)cs3)nc2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is SFNLVGDAAAQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4S/c1-19(33)31-10-12-32(13-11-31)21-6-7-24(28-16-21)26(34)30-27-29-25(18-37-27)23-5-3-2-4-20(23)17-36-22-8-14-35-15-9-22/h4-7,16,18,22H,2-3,8-15,17H2,1H3,(H,29,30,34).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 523.66 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-[4-[6-(oxan-4-yloxymethyl)cyclohexa-1,5-dien-1-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177214058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).