N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide

C14H20N4O2S — CID 42147826

IUPACN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1csnn1
InChIInChI=1S/C14H20N4O2S/c19-13-7-10(15-14(20)12-9-21-17-16-12)8-18(13)11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,20)/t10-/m1/s1
InChIKeyJUZWSAUYRVSCHX-SNVBAGLBSA-N
MW308.41 g/mol
LogP1.59
Rot. Bonds3

About N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide (PubChem CID 42147826) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
PubChem CID42147826
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1csnn1
InChIInChI=1S/C14H20N4O2S/c19-13-7-10(15-14(20)12-9-21-17-16-12)8-18(13)11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,20)/t10-/m1/s1
InChIKeyJUZWSAUYRVSCHX-SNVBAGLBSA-N
XLogP1.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide (CID 42147826) is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide is O=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1csnn1.
What is the InChIKey of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
The InChIKey is JUZWSAUYRVSCHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13-7-10(15-14(20)12-9-21-17-16-12)8-18(13)11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,20)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide?
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 42147826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).