1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

C17H22N4O3S — CID 55364216

IUPAC1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CCCN2C(=O)c2ccco2)s1
InChIInChI=1S/C17H22N4O3S/c1-3-11(4-2)15-19-20-17(25-15)18-14(22)12-7-5-9-21(12)16(23)13-8-6-10-24-13/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,18,20,22)
InChIKeyGRNVEIXESWZTAI-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.28
Rot. Bonds6

About 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 55364216) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID55364216
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CCCN2C(=O)c2ccco2)s1
InChIInChI=1S/C17H22N4O3S/c1-3-11(4-2)15-19-20-17(25-15)18-14(22)12-7-5-9-21(12)16(23)13-8-6-10-24-13/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,18,20,22)
InChIKeyGRNVEIXESWZTAI-UHFFFAOYSA-N
XLogP3.28
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 86896513
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 47047629
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51191794
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 24658807
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (CID 55364216) is 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is CCC(CC)c1nnc(NC(=O)C2CCCN2C(=O)c2ccco2)s1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is GRNVEIXESWZTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-11(4-2)15-19-20-17(25-15)18-14(22)12-7-5-9-21(12)16(23)13-8-6-10-24-13/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,18,20,22).
What are the key properties of 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55364216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).