(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C16H16N6O2S — CID 99754255

IUPAC(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1
InChIInChI=1S/C16H16N6O2S/c1-2-12-19-21-16(25-12)17-15(24)9-7-13(23)22(8-9)14-10-5-3-4-6-11(10)18-20-14/h3-6,9H,2,7-8H2,1H3,(H,18,20)(H,17,21,24)/t9-/m1/s1
InChIKeyBZECUWUMRJPHLA-SECBINFHSA-N
MW356.41 g/mol
LogP1.97
Rot. Bonds4

About (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99754255) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99754255
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1
InChIInChI=1S/C16H16N6O2S/c1-2-12-19-21-16(25-12)17-15(24)9-7-13(23)22(8-9)14-10-5-3-4-6-11(10)18-20-14/h3-6,9H,2,7-8H2,1H3,(H,18,20)(H,17,21,24)/t9-/m1/s1
InChIKeyBZECUWUMRJPHLA-SECBINFHSA-N
XLogP1.97
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 91903482
ethyl 2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 99754212
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6463897
(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 99754260
(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489297
N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465842
(3R)-N-(2-hydroxyethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97266662
ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 99754268
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97265093

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 99754255) is (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1.
What is the InChIKey of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BZECUWUMRJPHLA-SECBINFHSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-2-12-19-21-16(25-12)17-15(24)9-7-13(23)22(8-9)14-10-5-3-4-6-11(10)18-20-14/h3-6,9H,2,7-8H2,1H3,(H,18,20)(H,17,21,24)/t9-/m1/s1.
What are the key properties of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99754255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).