2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide

C16H9N5O2S — CID 155481764

IUPAC2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)s1
InChIInChI=1S/C16H9N5O2S/c17-6-14-18-7-13(24-14)16(22)19-10-1-2-12-11(5-10)15(21-20-12)9-3-4-23-8-9/h1-5,7-8H,(H,19,22)(H,20,21)
InChIKeyCDHPWZGQFNNJFL-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.40
Rot. Bonds3

About 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide

2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 155481764) has the molecular formula C16H9N5O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID155481764
Molecular FormulaC16H9N5O2S
Molecular Weight335.35 g/mol
Exact Mass335.05
IUPAC Name2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)s1
InChIInChI=1S/C16H9N5O2S/c17-6-14-18-7-13(24-14)16(22)19-10-1-2-12-11(5-10)15(21-20-12)9-3-4-23-8-9/h1-5,7-8H,(H,19,22)(H,20,21)
InChIKeyCDHPWZGQFNNJFL-UHFFFAOYSA-N
XLogP3.40
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide (CID 155481764) is 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide is N#Cc1ncc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)s1.
What is the InChIKey of 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is CDHPWZGQFNNJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5O2S/c17-6-14-18-7-13(24-14)16(22)19-10-1-2-12-11(5-10)15(21-20-12)9-3-4-23-8-9/h1-5,7-8H,(H,19,22)(H,20,21).
What are the key properties of 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155481764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).