5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide

C12H16N6OS — CID 106261497

IUPAC5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2n[nH]c(C3CC3)n2)s1
InChIInChI=1S/C12H16N6OS/c1-6(2)5-8-15-18-12(20-8)14-11(19)10-13-9(16-17-10)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,13,16,17)(H,14,18,19)
InChIKeySGUOVQQCMTWJEG-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.98
Rot. Bonds5

About 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106261497) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID106261497
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2n[nH]c(C3CC3)n2)s1
InChIInChI=1S/C12H16N6OS/c1-6(2)5-8-15-18-12(20-8)14-11(19)10-13-9(16-17-10)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,13,16,17)(H,14,18,19)
InChIKeySGUOVQQCMTWJEG-UHFFFAOYSA-N
XLogP1.98
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276435
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 106259563
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-(azetidin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 114165511
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560
5-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
CID 107642777
5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114117439
(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 7318372

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide (CID 106261497) is 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide is CC(C)Cc1nnc(NC(=O)c2n[nH]c(C3CC3)n2)s1.
What is the InChIKey of 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is SGUOVQQCMTWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-6(2)5-8-15-18-12(20-8)14-11(19)10-13-9(16-17-10)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,13,16,17)(H,14,18,19).
What are the key properties of 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106261497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).