4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C15H11N5OS — CID 46836652

IUPAC4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3cn[nH]c3-c3ccco3)cs2)nc1
InChIInChI=1S/C15H11N5OS/c1-2-6-16-13(5-1)19-15-18-11(9-22-15)10-8-17-20-14(10)12-4-3-7-21-12/h1-9H,(H,17,20)(H,16,18,19)
InChIKeyIVEDDZZBJJKZIS-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.93
Rot. Bonds4

About 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 46836652) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID46836652
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3cn[nH]c3-c3ccco3)cs2)nc1
InChIInChI=1S/C15H11N5OS/c1-2-6-16-13(5-1)19-15-18-11(9-22-15)10-8-17-20-14(10)12-4-3-7-21-12/h1-9H,(H,17,20)(H,16,18,19)
InChIKeyIVEDDZZBJJKZIS-UHFFFAOYSA-N
XLogP3.93
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062163
(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 17491683
N-(4-(furan-2-yl)thiazol-2-yl)-6-(1H-pyrazol-1-yl)pyridazine-3-carboxamide
CID 56765934
4-Pyridinecarboxamide,n-[4-(2-furanyl)-5-(4-pyridinyl)-2-thiazolyl]-
CID 23144095
1-(6-(furan-2-yl)pyridazin-3-yl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 30866947
N-(4-(benzofuran-2-yl)thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 42110502
1-(3-(furan-2-yl)-1H-pyrazole-5-carbonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 49676974
5-[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]-N-(2-furylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 42452094
5-(furan-2-yl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4770020
2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 56848351
2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 56848353
N-(3-fluoro-5-methyl-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062169

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 46836652) is 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is c1ccc(Nc2nc(-c3cn[nH]c3-c3ccco3)cs2)nc1.
What is the InChIKey of 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is IVEDDZZBJJKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-2-6-16-13(5-1)19-15-18-11(9-22-15)10-8-17-20-14(10)12-4-3-7-21-12/h1-9H,(H,17,20)(H,16,18,19).
What are the key properties of 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 309.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46836652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).