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

C16H17N5OS — CID 127047605

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide
SMILESCC(C)n1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21
InChIInChI=1S/C16H17N5OS/c1-9(2)21-13-7-11(5-6-12(13)8-17-21)14(22)18-16-20-19-15(23-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,18,20,22)
InChIKeyIJUZUIJUNJWLQQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.60
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide (PubChem CID 127047605) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide
PubChem CID127047605
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide
SMILESCC(C)n1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21
InChIInChI=1S/C16H17N5OS/c1-9(2)21-13-7-11(5-6-12(13)8-17-21)14(22)18-16-20-19-15(23-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,18,20,22)
InChIKeyIJUZUIJUNJWLQQ-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.60
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-propan-2-ylindazole-6-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide (CID 127047605) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide is CC(C)n1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide?
The InChIKey is IJUZUIJUNJWLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-9(2)21-13-7-11(5-6-12(13)8-17-21)14(22)18-16-20-19-15(23-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.60, 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-propan-2-ylindazole-6-carboxamide is sourced from PubChem (CID 127047605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).