N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C13H18N4OS — CID 166605821

IUPACN-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nnc(C3CC3)s2)C1
InChIInChI=1S/C13H18N4OS/c18-11(14-10-3-4-10)9-5-6-17(7-9)13-16-15-12(19-13)8-1-2-8/h8-10H,1-7H2,(H,14,18)
InChIKeyMFYVLUFRVICIFQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.52
Rot. Bonds4

About N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 166605821) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID166605821
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nnc(C3CC3)s2)C1
InChIInChI=1S/C13H18N4OS/c18-11(14-10-3-4-10)9-5-6-17(7-9)13-16-15-12(19-13)8-1-2-8/h8-10H,1-7H2,(H,14,18)
InChIKeyMFYVLUFRVICIFQ-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 166605821) is N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is O=C(NC1CC1)C1CCN(c2nnc(C3CC3)s2)C1.
What is the InChIKey of N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is MFYVLUFRVICIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c18-11(14-10-3-4-10)9-5-6-17(7-9)13-16-15-12(19-13)8-1-2-8/h8-10H,1-7H2,(H,14,18).
What are the key properties of N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166605821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).