2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole

C25H23N5OS2 — CID 141056228

IUPAC2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole
SMILESCC1N(c2ccc[nH]2)N(c2cccs2)C(C)(c2ccco2)C1(c1ccccn1)c1nccs1
InChIInChI=1S/C25H23N5OS2/c1-18-25(23-28-14-17-33-23,19-8-3-4-12-26-19)24(2,20-9-6-15-31-20)30(22-11-7-16-32-22)29(18)21-10-5-13-27-21/h3-18,27H,1-2H3
InChIKeyWBGBFCOEZRZEHC-UHFFFAOYSA-N
MW473.63 g/mol
LogP6.05
Rot. Bonds5

About 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole

2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole (PubChem CID 141056228) has the molecular formula C25H23N5OS2 and a molecular weight of 473.63 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole
PubChem CID141056228
Molecular FormulaC25H23N5OS2
Molecular Weight473.63 g/mol
Exact Mass473.13
IUPAC Name2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole
SMILESCC1N(c2ccc[nH]2)N(c2cccs2)C(C)(c2ccco2)C1(c1ccccn1)c1nccs1
InChIInChI=1S/C25H23N5OS2/c1-18-25(23-28-14-17-33-23,19-8-3-4-12-26-19)24(2,20-9-6-15-31-20)30(22-11-7-16-32-22)29(18)21-10-5-13-27-21/h3-18,27H,1-2H3
InChIKeyWBGBFCOEZRZEHC-UHFFFAOYSA-N
XLogP6.05
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.63
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
CID 91291255
2-[6-[4-[2-[2-[5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-2-pyridinyl]furan-3-yl]-1H-imidazol-4-yl]-1,3,5-triazin-2-yl]-2H-pyran-5-yl]-1,3-thiazole
CID 136655040
Bis[3-[2-(tert-butylamino)-4-(furan-2-yl)-1,3-thiazol-5-yl]-2-pyridinyl]methanone
CID 140306081
Bis[2-[2-(tert-butylamino)-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-pyridinyl]methanone
CID 140306082
4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole
CID 140973854
2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
CID 140997560
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-pyrimidin-2-yl-3H-pyrrol-4-yl]-1,3-thiazole
CID 140998060
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
CID 141002534
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole
CID 141004623
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-thiophen-2-yl-3-pyridinyl]-1,3-thiazole
CID 141017837
2-[5-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-2-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-3-yl]-1,3-oxazole
CID 141040412

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole (CID 141056228) is 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole is CC1N(c2ccc[nH]2)N(c2cccs2)C(C)(c2ccco2)C1(c1ccccn1)c1nccs1.
What is the InChIKey of 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole?
The InChIKey is WBGBFCOEZRZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS2/c1-18-25(23-28-14-17-33-23,19-8-3-4-12-26-19)24(2,20-9-6-15-31-20)30(22-11-7-16-32-22)29(18)21-10-5-13-27-21/h3-18,27H,1-2H3.
What are the key properties of 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole?
2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole has a molecular weight of 473.63 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-3,5-dimethyl-4-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyrazolidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 141056228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).