(2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

C13H13ClN4OS — CID 94031954

IUPAC(2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC[C@@H]1c1ccccc1Cl
InChIInChI=1S/C13H13ClN4OS/c14-10-5-2-1-4-9(10)11-6-3-7-18(11)13(19)16-12-17-15-8-20-12/h1-2,4-5,8,11H,3,6-7H2,(H,16,17,19)/t11-/m1/s1
InChIKeyCHASQDNSGUKHRG-LLVKDONJSA-N
MW308.79 g/mol
LogP3.56
Rot. Bonds2

About (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

(2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 94031954) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID94031954
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name(2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC[C@@H]1c1ccccc1Cl
InChIInChI=1S/C13H13ClN4OS/c14-10-5-2-1-4-9(10)11-6-3-7-18(11)13(19)16-12-17-15-8-20-12/h1-2,4-5,8,11H,3,6-7H2,(H,16,17,19)/t11-/m1/s1
InChIKeyCHASQDNSGUKHRG-LLVKDONJSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
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2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
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[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (CID 94031954) is (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1nncs1)N1CCC[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is CHASQDNSGUKHRG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-10-5-2-1-4-9(10)11-6-3-7-18(11)13(19)16-12-17-15-8-20-12/h1-2,4-5,8,11H,3,6-7H2,(H,16,17,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
(2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94031954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).