(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C16H20N4O3S — CID 31036670

IUPAC(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1
InChIInChI=1S/C16H20N4O3S/c1-2-3-6-13-18-19-16(24-13)17-15(22)11-8-14(21)20(9-11)10-12-5-4-7-23-12/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,17,19,22)/t11-/m0/s1
InChIKeyXVMMAOXJBZSJHW-NSHDSACASA-N
MW348.43 g/mol
LogP2.46
Rot. Bonds7

About (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 31036670) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID31036670
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1
InChIInChI=1S/C16H20N4O3S/c1-2-3-6-13-18-19-16(24-13)17-15(22)11-8-14(21)20(9-11)10-12-5-4-7-23-12/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,17,19,22)/t11-/m0/s1
InChIKeyXVMMAOXJBZSJHW-NSHDSACASA-N
XLogP2.46
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-butyl-5-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9399775
(3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38484906
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
(3R)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8882067
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 97264226
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
CID 54789420
(3R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968878
(3S)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9399696
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 31036670) is (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1.
What is the InChIKey of (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XVMMAOXJBZSJHW-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-3-6-13-18-19-16(24-13)17-15(22)11-8-14(21)20(9-11)10-12-5-4-7-23-12/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,17,19,22)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 31036670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).