1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C22H21N5O2S2 — CID 112822220

IUPAC1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC3C(=O)Nc3nccs3)cc12
InChIInChI=1S/C22H21N5O2S2/c1-14-16-12-18(31-21(16)27(25-14)13-15-6-3-2-4-7-15)20(29)26-10-5-8-17(26)19(28)24-22-23-9-11-30-22/h2-4,6-7,9,11-12,17H,5,8,10,13H2,1H3,(H,23,24,28)
InChIKeyPJZZHNDMULKLJG-UHFFFAOYSA-N
MW451.58 g/mol
LogP4.15
Rot. Bonds5

About 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 112822220) has the molecular formula C22H21N5O2S2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID112822220
Molecular FormulaC22H21N5O2S2
Molecular Weight451.58 g/mol
Exact Mass451.11
IUPAC Name1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC3C(=O)Nc3nccs3)cc12
InChIInChI=1S/C22H21N5O2S2/c1-14-16-12-18(31-21(16)27(25-14)13-15-6-3-2-4-7-15)20(29)26-10-5-8-17(26)19(28)24-22-23-9-11-30-22/h2-4,6-7,9,11-12,17H,5,8,10,13H2,1H3,(H,23,24,28)
InChIKeyPJZZHNDMULKLJG-UHFFFAOYSA-N
XLogP4.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-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 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 112822220) is 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC3C(=O)Nc3nccs3)cc12.
What is the InChIKey of 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is PJZZHNDMULKLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S2/c1-14-16-12-18(31-21(16)27(25-14)13-15-6-3-2-4-7-15)20(29)26-10-5-8-17(26)19(28)24-22-23-9-11-30-22/h2-4,6-7,9,11-12,17H,5,8,10,13H2,1H3,(H,23,24,28).
What are the key properties of 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112822220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).