(2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

C13H20N4OS — CID 99857487

IUPAC(2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1nnc(N2CCC[C@H]2C(=O)NC2CC2)s1
InChIInChI=1S/C13H20N4OS/c1-2-4-11-15-16-13(19-11)17-8-3-5-10(17)12(18)14-9-6-7-9/h9-10H,2-8H2,1H3,(H,14,18)/t10-/m0/s1
InChIKeyZNZWWBLLIAZVIJ-JTQLQIEISA-N
MW280.40 g/mol
LogP1.74
Rot. Bonds5

About (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 99857487) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID99857487
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1nnc(N2CCC[C@H]2C(=O)NC2CC2)s1
InChIInChI=1S/C13H20N4OS/c1-2-4-11-15-16-13(19-11)17-8-3-5-10(17)12(18)14-9-6-7-9/h9-10H,2-8H2,1H3,(H,14,18)/t10-/m0/s1
InChIKeyZNZWWBLLIAZVIJ-JTQLQIEISA-N
XLogP1.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 47279938
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 64623898
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 42775758
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
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(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-propyl-1,3,4-thiadiazole
CID 133463842
N-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
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N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
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(2S)-1-(4-fluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 41130374
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154823517
1-(5-acetyl-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 91650969
methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (CID 99857487) is (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is CCCc1nnc(N2CCC[C@H]2C(=O)NC2CC2)s1.
What is the InChIKey of (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZNZWWBLLIAZVIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4OS/c1-2-4-11-15-16-13(19-11)17-8-3-5-10(17)12(18)14-9-6-7-9/h9-10H,2-8H2,1H3,(H,14,18)/t10-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 99857487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).