1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid

C14H14N4O3S — CID 122077826

IUPAC1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1
InChIInChI=1S/C14H14N4O3S/c19-13(20)10-5-6-18(7-10)14(21)15-11-3-1-9(2-4-11)12-8-22-17-16-12/h1-4,8,10H,5-7H2,(H,15,21)(H,19,20)
InChIKeyFPIFCVSGPBIOOJ-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.14
Rot. Bonds3

About 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122077826) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122077826
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1
InChIInChI=1S/C14H14N4O3S/c19-13(20)10-5-6-18(7-10)14(21)15-11-3-1-9(2-4-11)12-8-22-17-16-12/h1-4,8,10H,5-7H2,(H,15,21)(H,19,20)
InChIKeyFPIFCVSGPBIOOJ-UHFFFAOYSA-N
XLogP2.14
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
CID 60577463
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092432
4-(methoxymethyl)-4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperidine-1-carboxamide
CID 75442026
1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094127
1-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075376
1-[(3-iodophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55151371
2,2-dimethyl-3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 166249699
1-[[4-(difluoromethylsulfonyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074333
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 154874344
1-[[4-(2,2-difluoroethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086163

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122077826) is 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1.
What is the InChIKey of 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FPIFCVSGPBIOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c19-13(20)10-5-6-18(7-10)14(21)15-11-3-1-9(2-4-11)12-8-22-17-16-12/h1-4,8,10H,5-7H2,(H,15,21)(H,19,20).
What are the key properties of 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122077826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).