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

C14H9N3OS2 — CID 141023326

IUPAC2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole
SMILESc1coc(-c2n[nH]c(-c3nccs3)c2-c2cccs2)c1
InChIInChI=1S/C14H9N3OS2/c1-3-9(18-6-1)12-11(10-4-2-7-19-10)13(17-16-12)14-15-5-8-20-14/h1-8H,(H,16,17)
InChIKeyKLVUYGNPECMODJ-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.52
Rot. Bonds3

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

2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole (PubChem CID 141023326) has the molecular formula C14H9N3OS2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole
PubChem CID141023326
Molecular FormulaC14H9N3OS2
Molecular Weight299.38 g/mol
Exact Mass299.02
IUPAC Name2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole
SMILESc1coc(-c2n[nH]c(-c3nccs3)c2-c2cccs2)c1
InChIInChI=1S/C14H9N3OS2/c1-3-9(18-6-1)12-11(10-4-2-7-19-10)13(17-16-12)14-15-5-8-20-14/h1-8H,(H,16,17)
InChIKeyKLVUYGNPECMODJ-UHFFFAOYSA-N
XLogP4.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(5-methyl-2-furyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70770209
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45198190
2-methyl-4-[(2S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 124257299
2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062253
2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062259
5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole
CID 91378901
3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
CID 118227496
3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
CID 118227498
(1R)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 25456169
(1S)-N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 25456177
2-[(2R)-1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 26318066
2-[(2S)-1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 26318068

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole (CID 141023326) is 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole is c1coc(-c2n[nH]c(-c3nccs3)c2-c2cccs2)c1.
What is the InChIKey of 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole?
The InChIKey is KLVUYGNPECMODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS2/c1-3-9(18-6-1)12-11(10-4-2-7-19-10)13(17-16-12)14-15-5-8-20-14/h1-8H,(H,16,17).
What are the key properties of 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole?
2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole has a molecular weight of 299.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 141023326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).