2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide

C17H22N4O2S — CID 71921022

IUPAC2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)Nc1ccc2nc(C(C)C)sc2c1
InChIInChI=1S/C17H22N4O2S/c1-10(2)16-20-12-7-6-11(9-14(12)24-16)19-17(23)21-8-4-5-13(21)15(22)18-3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyUSERWQVPWMIKKH-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.16
Rot. Bonds3

About 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide

2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 71921022) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID71921022
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)Nc1ccc2nc(C(C)C)sc2c1
InChIInChI=1S/C17H22N4O2S/c1-10(2)16-20-12-7-6-11(9-14(12)24-16)19-17(23)21-8-4-5-13(21)15(22)18-3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyUSERWQVPWMIKKH-UHFFFAOYSA-N
XLogP3.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 60594965
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119306074
(2S)-2-[(2-amino-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 87939442
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 51508255
1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 71884515
2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 95169004
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786603
4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71884392
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527240
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 51591557

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide (CID 71921022) is 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide is CNC(=O)C1CCCN1C(=O)Nc1ccc2nc(C(C)C)sc2c1.
What is the InChIKey of 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is USERWQVPWMIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10(2)16-20-12-7-6-11(9-14(12)24-16)19-17(23)21-8-4-5-13(21)15(22)18-3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide?
2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71921022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).