N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide

C15H15N5OS — CID 127047604

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide
SMILESCCn1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21
InChIInChI=1S/C15H15N5OS/c1-2-20-12-7-10(5-6-11(12)8-16-20)13(21)17-15-19-18-14(22-15)9-3-4-9/h5-9H,2-4H2,1H3,(H,17,19,21)
InChIKeyKWDCFGRMRIZGMV-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.04
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide (PubChem CID 127047604) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide
PubChem CID127047604
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide
SMILESCCn1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21
InChIInChI=1S/C15H15N5OS/c1-2-20-12-7-10(5-6-11(12)8-16-20)13(21)17-15-19-18-14(22-15)9-3-4-9/h5-9H,2-4H2,1H3,(H,17,19,21)
InChIKeyKWDCFGRMRIZGMV-UHFFFAOYSA-N
XLogP3.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide (CID 127047604) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide is CCn1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide?
The InChIKey is KWDCFGRMRIZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-20-12-7-10(5-6-11(12)8-16-20)13(21)17-15-19-18-14(22-15)9-3-4-9/h5-9H,2-4H2,1H3,(H,17,19,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide is sourced from PubChem (CID 127047604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).