(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide

C13H20N4OS — CID 99778298

IUPAC(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CC[C@H]3CCC[C@H]32)s1
InChIInChI=1S/C13H20N4OS/c1-2-4-11-15-16-12(19-11)14-13(18)17-8-7-9-5-3-6-10(9)17/h9-10H,2-8H2,1H3,(H,14,16,18)/t9-,10-/m1/s1
InChIKeyFJXVJPHHFUNSOH-NXEZZACHSA-N
MW280.40 g/mol
LogP2.90
Rot. Bonds3

About (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide

(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide (PubChem CID 99778298) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
PubChem CID99778298
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CC[C@H]3CCC[C@H]32)s1
InChIInChI=1S/C13H20N4OS/c1-2-4-11-15-16-12(19-11)14-13(18)17-8-7-9-5-3-6-10(9)17/h9-10H,2-8H2,1H3,(H,14,16,18)/t9-,10-/m1/s1
InChIKeyFJXVJPHHFUNSOH-NXEZZACHSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide with MolForge

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
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
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 46984198
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43045933
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 97099007
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 124854593
3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
CID 166281210
(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 97185180

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The IUPAC name of (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) is (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The canonical SMILES for (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide is CCCc1nnc(NC(=O)N2CC[C@H]3CCC[C@H]32)s1.
What is the InChIKey of (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The InChIKey is FJXVJPHHFUNSOH-NXEZZACHSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-2-4-11-15-16-12(19-11)14-13(18)17-8-7-9-5-3-6-10(9)17/h9-10H,2-8H2,1H3,(H,14,16,18)/t9-,10-/m1/s1.
What are the key properties of (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide is sourced from PubChem (CID 99778298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).