(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C17H20ClN5O2S — CID 51508255

IUPAC(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)c1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C17H20ClN5O2S/c1-10(2)15-21-22-16(26-15)20-14(24)13-7-4-8-23(13)17(25)19-12-6-3-5-11(18)9-12/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,19,25)(H,20,22,24)/t13-/m1/s1
InChIKeyJIQNHJGOVSUYHB-CYBMUJFWSA-N
MW393.90 g/mol
LogP3.95
Rot. Bonds4

About (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 51508255) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID51508255
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)c1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C17H20ClN5O2S/c1-10(2)15-21-22-16(26-15)20-14(24)13-7-4-8-23(13)17(25)19-12-6-3-5-11(18)9-12/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,19,25)(H,20,22,24)/t13-/m1/s1
InChIKeyJIQNHJGOVSUYHB-CYBMUJFWSA-N
XLogP3.95
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
2-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3258483
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
1-N-(3-bromophenyl)-2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42758156
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734
(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51508333
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3966522
1-N-(4-chlorophenyl)-2-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42758005
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
1-N-(3,4-difluorophenyl)-2-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42764745
(2S)-1-(4-chlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 1468453

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 51508255) is (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is CC(C)c1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JIQNHJGOVSUYHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c1-10(2)15-21-22-16(26-15)20-14(24)13-7-4-8-23(13)17(25)19-12-6-3-5-11(18)9-12/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,19,25)(H,20,22,24)/t13-/m1/s1.
What are the key properties of (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 51508255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).