5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

C20H17N3O2S — CID 58733694

IUPAC5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1-c1ccco1
InChIInChI=1S/C20H17N3O2S/c1-12(2)18-15(17-4-3-9-25-17)10-14(19(24)23-18)16-11-26-20(22-16)13-5-7-21-8-6-13/h3-12H,1-2H3,(H,23,24)
InChIKeyUZJYITLUFPOQBB-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.94
Rot. Bonds4

About 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (PubChem CID 58733694) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
PubChem CID58733694
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1-c1ccco1
InChIInChI=1S/C20H17N3O2S/c1-12(2)18-15(17-4-3-9-25-17)10-14(19(24)23-18)16-11-26-20(22-16)13-5-7-21-8-6-13/h3-12H,1-2H3,(H,23,24)
InChIKeyUZJYITLUFPOQBB-UHFFFAOYSA-N
XLogP4.94
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
ethyl 5-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 45483837
N-(4-phenoxyphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644856
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}furan-2-carboxamide
CID 5310118
15-(Furan-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291331
N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44334035
N-[(3S)-1-[3-(4-acetylphenoxy)propyl]pyrrolidin-3-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44334037
6-Cyclopropylmethoxy-5-methyl-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71105572
6-Cyclopropylmethoxy-5-methyl-pyridine-2-carboxylic acid ((S)-3-methyl-1-thiazol-2-yl-butyl)-amide
CID 71105574
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791294
4-ethoxy-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119156
N-[3-(2-furyl)phenyl]-1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinecarboxamide
CID 25298693

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (CID 58733694) is 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The InChIKey is UZJYITLUFPOQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12(2)18-15(17-4-3-9-25-17)10-14(19(24)23-18)16-11-26-20(22-16)13-5-7-21-8-6-13/h3-12H,1-2H3,(H,23,24).
What are the key properties of 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one has a molecular weight of 363.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 58733694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).