(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C14H16N4O2S2 — CID 2474138

IUPAC(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C14H16N4O2S2/c1-2-11-16-17-14(22-11)15-12(19)9-5-3-7-18(9)13(20)10-6-4-8-21-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17,19)/t9-/m0/s1
InChIKeyRJFXTSDXRJKCCA-VIFPVBQESA-N
MW336.44 g/mol
LogP2.41
Rot. Bonds4

About (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2474138) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2474138
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C14H16N4O2S2/c1-2-11-16-17-14(22-11)15-12(19)9-5-3-7-18(9)13(20)10-6-4-8-21-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17,19)/t9-/m0/s1
InChIKeyRJFXTSDXRJKCCA-VIFPVBQESA-N
XLogP2.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 745404
N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809018
2-(1-pyrrolidinyl)-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 848960
Thiophene-2-carboxylic acid {5-[(diisopropylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-amide
CID 3220504
N-(4-amino-2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)thiophene-2-carboxamide
CID 135439805
N-(4-acetamido-2-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)thiophene-2-carboxamide
CID 135541104
N-[5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 648765
N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 651511
N-[(2S)-3-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)butan-2-yl]thiophene-2-carboxamide
CID 29370022
N-(5-methyl(1,3,4-thiadiazol-2-yl))-4-[4-oxo-5-(2-thienylmethylene)-2-thioxo(1,3-thiazolidin-3-yl)]butanamide
CID 1584599
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(1-isobutyl-2-pyrrolidinyl)-2-thiophenecarboxamide
CID 45196366
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanamide
CID 1586945

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2474138) is (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)s1.
What is the InChIKey of (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RJFXTSDXRJKCCA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-2-11-16-17-14(22-11)15-12(19)9-5-3-7-18(9)13(20)10-6-4-8-21-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17,19)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2474138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).