N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide

C15H24N4O3S — CID 18584371

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C15H24N4O3S/c1-9(6-22-5)16-13(20)14(21)17-12-10-7-23-8-11(10)18-19(12)15(2,3)4/h9H,6-8H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyGZAYWWMJHHYMML-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.47
Rot. Bonds4

About N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide (PubChem CID 18584371) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide
PubChem CID18584371
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C15H24N4O3S/c1-9(6-22-5)16-13(20)14(21)17-12-10-7-23-8-11(10)18-19(12)15(2,3)4/h9H,6-8H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyGZAYWWMJHHYMML-UHFFFAOYSA-N
XLogP1.47
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide (CID 18584371) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide is COCC(C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide?
The InChIKey is GZAYWWMJHHYMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-9(6-22-5)16-13(20)14(21)17-12-10-7-23-8-11(10)18-19(12)15(2,3)4/h9H,6-8H2,1-5H3,(H,16,20)(H,17,21).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide has a molecular weight of 340.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N'-(1-methoxypropan-2-yl)oxamide is sourced from PubChem (CID 18584371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).