N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide

C12H18N4O2S — CID 25451440

IUPACN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESCC(C)(C)CN1C[C@@H](NC(=O)c2csnn2)CC1=O
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)7-16-5-8(4-10(16)17)13-11(18)9-6-19-15-14-9/h6,8H,4-5,7H2,1-3H3,(H,13,18)/t8-/m0/s1
InChIKeyHNKCEORDNOWXAU-QMMMGPOBSA-N
MW282.37 g/mol
LogP0.91
Rot. Bonds3

About N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide

N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide (PubChem CID 25451440) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
PubChem CID25451440
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESCC(C)(C)CN1C[C@@H](NC(=O)c2csnn2)CC1=O
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)7-16-5-8(4-10(16)17)13-11(18)9-6-19-15-14-9/h6,8H,4-5,7H2,1-3H3,(H,13,18)/t8-/m0/s1
InChIKeyHNKCEORDNOWXAU-QMMMGPOBSA-N
XLogP0.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide (CID 25451440) is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide is CC(C)(C)CN1C[C@@H](NC(=O)c2csnn2)CC1=O.
What is the InChIKey of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The InChIKey is HNKCEORDNOWXAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,3)7-16-5-8(4-10(16)17)13-11(18)9-6-19-15-14-9/h6,8H,4-5,7H2,1-3H3,(H,13,18)/t8-/m0/s1.
What are the key properties of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 25451440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).