2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole

C13H9N5OS — CID 140993860

IUPAC2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1coc(-c2nc(-c3ccn[nH]3)[nH]c2-c2nccs2)c1
InChIInChI=1S/C13H9N5OS/c1-2-9(19-6-1)10-11(13-14-5-7-20-13)17-12(16-10)8-3-4-15-18-8/h1-7H,(H,15,18)(H,16,17)
InChIKeyRGJONAQSEFTJFH-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.18
Rot. Bonds3

About 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole

2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole (PubChem CID 140993860) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
PubChem CID140993860
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1coc(-c2nc(-c3ccn[nH]3)[nH]c2-c2nccs2)c1
InChIInChI=1S/C13H9N5OS/c1-2-9(19-6-1)10-11(13-14-5-7-20-13)17-12(16-10)8-3-4-15-18-8/h1-7H,(H,15,18)(H,16,17)
InChIKeyRGJONAQSEFTJFH-UHFFFAOYSA-N
XLogP3.18
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[5,6-Bis(furan-2-YL)-1,2,4-triazin-3-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 6418149
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 7999201
3-(furan-2-yl)-N-(4-(pyridin-2-yl)thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 37677842
3-(furan-2-yl)-N-(4-{imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-1H-pyrazole-5-carboxamide
CID 35741208
N-(4-(furan-2-yl)thiazol-2-yl)-5-methyl-1-(5-methylthiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 49670160
3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-furyl}-1H-pyrazole
CID 56743515
3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
4-methyl-3-[(2-{2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}ethyl)thio]-4H-1,2,4-triazole
CID 56864821
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 71802174
1-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 76148390
N-[(S)-1-(1,3-thiazol-2-yl)-3-pyrrolidinyl]-3-(2-furyl)-5-pyrazolecarboxamide
CID 99875452
5-(2-Furyl)-1-(2-thienylmethyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 136014780

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole (CID 140993860) is 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole is c1coc(-c2nc(-c3ccn[nH]3)[nH]c2-c2nccs2)c1.
What is the InChIKey of 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The InChIKey is RGJONAQSEFTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-2-9(19-6-1)10-11(13-14-5-7-20-13)17-12(16-10)8-3-4-15-18-8/h1-7H,(H,15,18)(H,16,17).
What are the key properties of 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole has a molecular weight of 283.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 140993860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).