[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone

C24H23N5OS — CID 165419110

IUPAC[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCC(c2ccccc2)(c2csc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C24H23N5OS/c30-22(18-9-13-25-16-18)29-14-10-24(11-15-29,19-6-2-1-3-7-19)20-17-31-23(27-20)28-21-8-4-5-12-26-21/h1-9,12-13,16-17,25H,10-11,14-15H2,(H,26,27,28)
InChIKeyVHFDLKIJUMYHCH-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.83
Rot. Bonds5

About [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone

[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 165419110) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID165419110
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCC(c2ccccc2)(c2csc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C24H23N5OS/c30-22(18-9-13-25-16-18)29-14-10-24(11-15-29,19-6-2-1-3-7-19)20-17-31-23(27-20)28-21-8-4-5-12-26-21/h1-9,12-13,16-17,25H,10-11,14-15H2,(H,26,27,28)
InChIKeyVHFDLKIJUMYHCH-UHFFFAOYSA-N
XLogP4.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(butylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 165419116
[4-phenyl-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 165417878
[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 166621266
1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779
4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 165419110) is [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CCC(c2ccccc2)(c2csc(Nc3ccccn3)n2)CC1.
What is the InChIKey of [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is VHFDLKIJUMYHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c30-22(18-9-13-25-16-18)29-14-10-24(11-15-29,19-6-2-1-3-7-19)20-17-31-23(27-20)28-21-8-4-5-12-26-21/h1-9,12-13,16-17,25H,10-11,14-15H2,(H,26,27,28).
What are the key properties of [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 429.55 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 165419110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).