N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C13H10F3N5OS — CID 167958493

IUPACN-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESN#Cc1cnc(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2)s1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)10-8-3-6(1-2-9(8)20-21-10)11(22)19-12-18-5-7(4-17)23-12/h5-6H,1-3H2,(H,20,21)(H,18,19,22)
InChIKeyCXQKGCCIWJUUOA-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.50
Rot. Bonds2

About N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 167958493) has the molecular formula C13H10F3N5OS and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID167958493
Molecular FormulaC13H10F3N5OS
Molecular Weight341.32 g/mol
Exact Mass341.06
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESN#Cc1cnc(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2)s1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)10-8-3-6(1-2-9(8)20-21-10)11(22)19-12-18-5-7(4-17)23-12/h5-6H,1-3H2,(H,20,21)(H,18,19,22)
InChIKeyCXQKGCCIWJUUOA-UHFFFAOYSA-N
XLogP2.50
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 167958493) is N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is N#Cc1cnc(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is CXQKGCCIWJUUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS/c14-13(15,16)10-8-3-6(1-2-9(8)20-21-10)11(22)19-12-18-5-7(4-17)23-12/h5-6H,1-3H2,(H,20,21)(H,18,19,22).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 167958493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).