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

C15H25N5O2S — CID 7685487

IUPACN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C15H25N5O2S/c1-15(2,3)20-12(10-8-23-9-11(10)18-20)17-14(22)13(21)16-6-7-19(4)5/h6-9H2,1-5H3,(H,16,21)(H,17,22)
InChIKeyKDVIRNSSTGKKCV-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.00
Rot. Bonds4

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

N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 7685487) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID7685487
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C15H25N5O2S/c1-15(2,3)20-12(10-8-23-9-11(10)18-20)17-14(22)13(21)16-6-7-19(4)5/h6-9H2,1-5H3,(H,16,21)(H,17,22)
InChIKeyKDVIRNSSTGKKCV-UHFFFAOYSA-N
XLogP1.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.00
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-[2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide (CID 7685487) is N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide is CN(C)CCNC(=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-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is KDVIRNSSTGKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-15(2,3)20-12(10-8-23-9-11(10)18-20)17-14(22)13(21)16-6-7-19(4)5/h6-9H2,1-5H3,(H,16,21)(H,17,22).
What are the key properties of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide?
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 339.47 g/mol, XLogP of 1.00, 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-[2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 7685487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).