(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide

C13H22N4O2S — CID 164639752

IUPAC(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCCc1nsc(NC(=O)N2CCC[C@@H]2CCCO)n1
InChIInChI=1S/C13H22N4O2S/c1-2-5-11-14-12(20-16-11)15-13(19)17-8-3-6-10(17)7-4-9-18/h10,18H,2-9H2,1H3,(H,14,15,16,19)/t10-/m1/s1
InChIKeyCBSFDAZYQNCDOP-SNVBAGLBSA-N
MW298.41 g/mol
LogP2.26
Rot. Bonds6

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

(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 164639752) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID164639752
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCCc1nsc(NC(=O)N2CCC[C@@H]2CCCO)n1
InChIInChI=1S/C13H22N4O2S/c1-2-5-11-14-12(20-16-11)15-13(19)17-8-3-6-10(17)7-4-9-18/h10,18H,2-9H2,1H3,(H,14,15,16,19)/t10-/m1/s1
InChIKeyCBSFDAZYQNCDOP-SNVBAGLBSA-N
XLogP2.26
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992394
2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998706
2-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 141752043
(2R)-2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52391485
(2S)-2-(2-hydroxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52391486
(2R)-2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52399756
(2S)-2-(3-hydroxypropyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52399757
3-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65273453
3-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65275002
3-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65275057
3-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65275058
2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 132386315

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 164639752) is (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is CCCc1nsc(NC(=O)N2CCC[C@@H]2CCCO)n1.
What is the InChIKey of (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is CBSFDAZYQNCDOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-5-11-14-12(20-16-11)15-13(19)17-8-3-6-10(17)7-4-9-18/h10,18H,2-9H2,1H3,(H,14,15,16,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164639752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).