(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C12H19N5O2S — CID 125138453

IUPAC(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1nnc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1
InChIInChI=1S/C12H19N5O2S/c1-8-6-16-5-3-4-9(16)7-17(8)11(18)13-10-14-15-12(19-2)20-10/h8-9H,3-7H2,1-2H3,(H,13,14,18)/t8-,9+/m0/s1
InChIKeyPBRNOIJIFIGOPT-DTWKUNHWSA-N
MW297.38 g/mol
LogP1.25
Rot. Bonds2

About (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 125138453) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID125138453
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1nnc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1
InChIInChI=1S/C12H19N5O2S/c1-8-6-16-5-3-4-9(16)7-17(8)11(18)13-10-14-15-12(19-2)20-10/h8-9H,3-7H2,1-2H3,(H,13,14,18)/t8-,9+/m0/s1
InChIKeyPBRNOIJIFIGOPT-DTWKUNHWSA-N
XLogP1.25
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 125138453) is (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1nnc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1.
What is the InChIKey of (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PBRNOIJIFIGOPT-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-8-6-16-5-3-4-9(16)7-17(8)11(18)13-10-14-15-12(19-2)20-10/h8-9H,3-7H2,1-2H3,(H,13,14,18)/t8-,9+/m0/s1.
What are the key properties of (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 125138453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).