N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C16H24N4O2S — CID 29426195

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C16H24N4O2S/c1-7-20(9-13(21)17-16(3,4)5)14(22)12-8-11-10(2)18-19(6)15(11)23-12/h8H,7,9H2,1-6H3,(H,17,21)
InChIKeyDRXYQEYAGMKBBX-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29426195) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29426195
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C16H24N4O2S/c1-7-20(9-13(21)17-16(3,4)5)14(22)12-8-11-10(2)18-19(6)15(11)23-12/h8H,7,9H2,1-6H3,(H,17,21)
InChIKeyDRXYQEYAGMKBBX-UHFFFAOYSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 29426195) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DRXYQEYAGMKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-7-20(9-13(21)17-16(3,4)5)14(22)12-8-11-10(2)18-19(6)15(11)23-12/h8H,7,9H2,1-6H3,(H,17,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29426195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).