2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C13H18N4O3S — CID 107642586

IUPAC2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCCc1nnc(NC(=O)N2CC3CCCC3C2C(=O)O)s1
InChIInChI=1S/C13H18N4O3S/c1-2-9-15-16-12(21-9)14-13(20)17-6-7-4-3-5-8(7)10(17)11(18)19/h7-8,10H,2-6H2,1H3,(H,18,19)(H,14,16,20)
InChIKeyDTHJBLFWUFWBRV-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.82
Rot. Bonds3

About 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 107642586) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID107642586
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCCc1nnc(NC(=O)N2CC3CCCC3C2C(=O)O)s1
InChIInChI=1S/C13H18N4O3S/c1-2-9-15-16-12(21-9)14-13(20)17-6-7-4-3-5-8(7)10(17)11(18)19/h7-8,10H,2-6H2,1H3,(H,18,19)(H,14,16,20)
InChIKeyDTHJBLFWUFWBRV-UHFFFAOYSA-N
XLogP1.82
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889857
(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778298
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889994
3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
CID 166281210
2-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889942
tert-butyl (2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 167923098
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
2-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889896
2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 107642612
2-(2,2-difluoroethylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890586

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 107642586) is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CCc1nnc(NC(=O)N2CC3CCCC3C2C(=O)O)s1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is DTHJBLFWUFWBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-9-15-16-12(21-9)14-13(20)17-6-7-4-3-5-8(7)10(17)11(18)19/h7-8,10H,2-6H2,1H3,(H,18,19)(H,14,16,20).
What are the key properties of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 107642586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).