2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide

C13H12N4O2S — CID 47083199

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccn[nH]3)cs2)o1
InChIInChI=1S/C13H12N4O2S/c1-8-2-3-10(19-8)13-15-9(7-20-13)6-12(18)16-11-4-5-14-17-11/h2-5,7H,6H2,1H3,(H2,14,16,17,18)
InChIKeyAGICMLFVVGOTPG-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.62
Rot. Bonds4

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 47083199) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide
PubChem CID47083199
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccn[nH]3)cs2)o1
InChIInChI=1S/C13H12N4O2S/c1-8-2-3-10(19-8)13-15-9(7-20-13)6-12(18)16-11-4-5-14-17-11/h2-5,7H,6H2,1H3,(H2,14,16,17,18)
InChIKeyAGICMLFVVGOTPG-UHFFFAOYSA-N
XLogP2.62
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide (CID 47083199) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide is Cc1ccc(-c2nc(CC(=O)Nc3ccn[nH]3)cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is AGICMLFVVGOTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-2-3-10(19-8)13-15-9(7-20-13)6-12(18)16-11-4-5-14-17-11/h2-5,7H,6H2,1H3,(H2,14,16,17,18).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 288.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 47083199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).