N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C16H23N5OS2 — CID 51122435

IUPACN-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)NC1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H23N5OS2/c1-10(24-15-20-17-9-23-15)14(22)19-12-6-5-7-13-11(12)8-18-21(13)16(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,19,22)
InChIKeyOTMOWZVJYNEIRT-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.16
Rot. Bonds4

About N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 51122435) has the molecular formula C16H23N5OS2 and a molecular weight of 365.53 g/mol. Its IUPAC name is N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID51122435
Molecular FormulaC16H23N5OS2
Molecular Weight365.53 g/mol
Exact Mass365.13
IUPAC NameN-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)NC1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H23N5OS2/c1-10(24-15-20-17-9-23-15)14(22)19-12-6-5-7-13-11(12)8-18-21(13)16(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,19,22)
InChIKeyOTMOWZVJYNEIRT-UHFFFAOYSA-N
XLogP3.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 52531470
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879
(E)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 94802478
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
CID 95762906
2-[(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 154741785
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
(E)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 94801450

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 51122435) is N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CC(Sc1nncs1)C(=O)NC1CCCc2c1cnn2C(C)(C)C.
What is the InChIKey of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is OTMOWZVJYNEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS2/c1-10(24-15-20-17-9-23-15)14(22)19-12-6-5-7-13-11(12)8-18-21(13)16(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,19,22).
What are the key properties of N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 365.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 51122435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).