4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid

C18H21N5O3S — CID 118292196

IUPAC4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid
SMILESNc1nnc(-c2ccc(C(=O)N(C3CC3)C3CCN(C(=O)O)CC3)cc2)s1
InChIInChI=1S/C18H21N5O3S/c19-17-21-20-15(27-17)11-1-3-12(4-2-11)16(24)23(13-5-6-13)14-7-9-22(10-8-14)18(25)26/h1-4,13-14H,5-10H2,(H2,19,21)(H,25,26)
InChIKeyNCMWXZBTCWEPQC-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.53
Rot. Bonds4

About 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid

4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid (PubChem CID 118292196) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid
PubChem CID118292196
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid
SMILESNc1nnc(-c2ccc(C(=O)N(C3CC3)C3CCN(C(=O)O)CC3)cc2)s1
InChIInChI=1S/C18H21N5O3S/c19-17-21-20-15(27-17)11-1-3-12(4-2-11)16(24)23(13-5-6-13)14-7-9-22(10-8-14)18(25)26/h1-4,13-14H,5-10H2,(H2,19,21)(H,25,26)
InChIKeyNCMWXZBTCWEPQC-UHFFFAOYSA-N
XLogP2.53
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid (CID 118292196) is 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid is Nc1nnc(-c2ccc(C(=O)N(C3CC3)C3CCN(C(=O)O)CC3)cc2)s1.
What is the InChIKey of 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid?
The InChIKey is NCMWXZBTCWEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c19-17-21-20-15(27-17)11-1-3-12(4-2-11)16(24)23(13-5-6-13)14-7-9-22(10-8-14)18(25)26/h1-4,13-14H,5-10H2,(H2,19,21)(H,25,26).
What are the key properties of 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid?
4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid has a molecular weight of 387.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 118292196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).