N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide

C11H7F2N5OS — CID 47076937

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1n[nH]c2ccccc12
InChIInChI=1S/C11H7F2N5OS/c12-8(13)10-17-18-11(20-10)14-9(19)7-5-3-1-2-4-6(5)15-16-7/h1-4,8H,(H,15,16)(H,14,18,19)
InChIKeyLZAPBWZUFFJYPS-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.60
Rot. Bonds3

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide (PubChem CID 47076937) has the molecular formula C11H7F2N5OS and a molecular weight of 295.27 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide
PubChem CID47076937
Molecular FormulaC11H7F2N5OS
Molecular Weight295.27 g/mol
Exact Mass295.03
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1n[nH]c2ccccc12
InChIInChI=1S/C11H7F2N5OS/c12-8(13)10-17-18-11(20-10)14-9(19)7-5-3-1-2-4-6(5)15-16-7/h1-4,8H,(H,15,16)(H,14,18,19)
InChIKeyLZAPBWZUFFJYPS-UHFFFAOYSA-N
XLogP2.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide (CID 47076937) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide is O=C(Nc1nnc(C(F)F)s1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is LZAPBWZUFFJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5OS/c12-8(13)10-17-18-11(20-10)14-9(19)7-5-3-1-2-4-6(5)15-16-7/h1-4,8H,(H,15,16)(H,14,18,19).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 295.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 47076937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).