1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide

C18H14N4OS — CID 118335386

IUPAC1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H14N4OS/c23-17(20-18-19-10-11-24-18)16-14-8-4-5-9-15(14)22(21-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,23)
InChIKeyUFPQBZBMHMPZKX-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.79
Rot. Bonds4

About 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide

1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide (PubChem CID 118335386) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
PubChem CID118335386
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H14N4OS/c23-17(20-18-19-10-11-24-18)16-14-8-4-5-9-15(14)22(21-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,23)
InChIKeyUFPQBZBMHMPZKX-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide (CID 118335386) is 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide is O=C(Nc1nccs1)c1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
The InChIKey is UFPQBZBMHMPZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-17(20-18-19-10-11-24-18)16-14-8-4-5-9-15(14)22(21-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,23).
What are the key properties of 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide?
1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 118335386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).