(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C16H20N6OS — CID 50948704

IUPAC(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCc2csc(-c3cnccn3)n2)C1
InChIInChI=1S/C16H20N6OS/c1-22-7-11-4-18-9-16(11,10-22)15(23)20-5-12-8-24-14(21-12)13-6-17-2-3-19-13/h2-3,6,8,11,18H,4-5,7,9-10H2,1H3,(H,20,23)/t11-,16-/m1/s1
InChIKeyVALMMNUHSBAGJH-BDJLRTHQSA-N
MW344.44 g/mol
LogP0.37
Rot. Bonds4

About (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50948704) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50948704
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCc2csc(-c3cnccn3)n2)C1
InChIInChI=1S/C16H20N6OS/c1-22-7-11-4-18-9-16(11,10-22)15(23)20-5-12-8-24-14(21-12)13-6-17-2-3-19-13/h2-3,6,8,11,18H,4-5,7,9-10H2,1H3,(H,20,23)/t11-,16-/m1/s1
InChIKeyVALMMNUHSBAGJH-BDJLRTHQSA-N
XLogP0.37
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50966313
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
(3aS,6aS)-5-methyl-N-[3-(triazol-1-yl)propyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133117954
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
CID 131925661
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131928986
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50948704) is (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is CN1C[C@H]2CNC[C@@]2(C(=O)NCc2csc(-c3cnccn3)n2)C1.
What is the InChIKey of (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is VALMMNUHSBAGJH-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-22-7-11-4-18-9-16(11,10-22)15(23)20-5-12-8-24-14(21-12)13-6-17-2-3-19-13/h2-3,6,8,11,18H,4-5,7,9-10H2,1H3,(H,20,23)/t11-,16-/m1/s1.
What are the key properties of (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50948704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).