N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide

C17H19N5O2S — CID 68894629

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
SMILESCc1nnc(NC(=O)c2nn(CC3CCOCC3)c3ccccc23)s1
InChIInChI=1S/C17H19N5O2S/c1-11-19-20-17(25-11)18-16(23)15-13-4-2-3-5-14(13)22(21-15)10-12-6-8-24-9-7-12/h2-5,12H,6-10H2,1H3,(H,18,20,23)
InChIKeyIMDRGEFLFOJWSD-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.88
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide (PubChem CID 68894629) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
PubChem CID68894629
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
SMILESCc1nnc(NC(=O)c2nn(CC3CCOCC3)c3ccccc23)s1
InChIInChI=1S/C17H19N5O2S/c1-11-19-20-17(25-11)18-16(23)15-13-4-2-3-5-14(13)22(21-15)10-12-6-8-24-9-7-12/h2-5,12H,6-10H2,1H3,(H,18,20,23)
InChIKeyIMDRGEFLFOJWSD-UHFFFAOYSA-N
XLogP2.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-diphenylpyrazole-3-carboxamide
CID 2426745
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethylindazole-6-carboxamide
CID 127047604
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylindazole-6-carboxamide
CID 127047605
N-(2,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide
CID 172436389
5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 46968729
N-[(2S)-3,3-dimethyl-1-oxo-1-[[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]butan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124538
N-[3,3-dimethyl-1-oxo-1-[[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]butan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 70969119
1-(4-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581221
1-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16610849
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618845
1-(4-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618860
1-(4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618888

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide (CID 68894629) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide is Cc1nnc(NC(=O)c2nn(CC3CCOCC3)c3ccccc23)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
The InChIKey is IMDRGEFLFOJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-19-20-17(25-11)18-16(23)15-13-4-2-3-5-14(13)22(21-15)10-12-6-8-24-9-7-12/h2-5,12H,6-10H2,1H3,(H,18,20,23).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide is sourced from PubChem (CID 68894629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).