(6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

C19H28N4O3S — CID 155913230

IUPAC(6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)C[C@H]1[C@@H](C(=O)NC(C)C)C[C@H]2CN(C(=O)c3cscn3)CC(=O)N21
InChIInChI=1S/C19H28N4O3S/c1-11(2)5-16-14(18(25)21-12(3)4)6-13-7-22(8-17(24)23(13)16)19(26)15-9-27-10-20-15/h9-14,16H,5-8H2,1-4H3,(H,21,25)/t13-,14-,16-/m0/s1
InChIKeyJDHMSSOCWPKQKB-DZKIICNBSA-N
MW392.53 g/mol
LogP1.76
Rot. Bonds5

About (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

(6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 155913230) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID155913230
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name(6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)C[C@H]1[C@@H](C(=O)NC(C)C)C[C@H]2CN(C(=O)c3cscn3)CC(=O)N21
InChIInChI=1S/C19H28N4O3S/c1-11(2)5-16-14(18(25)21-12(3)4)6-13-7-22(8-17(24)23(13)16)19(26)15-9-27-10-20-15/h9-14,16H,5-8H2,1-4H3,(H,21,25)/t13-,14-,16-/m0/s1
InChIKeyJDHMSSOCWPKQKB-DZKIICNBSA-N
XLogP1.76
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

[(3aR,6aS)-2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97402070
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 110086467
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
(6S,7S,8aS)-N-(cyclopropylmethyl)-2-(1,5-dimethylpyrazole-3-carbonyl)-6-ethyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 154816958
(6R)-1-cyclohexyl-6-phenylmethoxy-4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 26219889
(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 154817295
(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390164
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 155913230) is (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is CC(C)C[C@H]1[C@@H](C(=O)NC(C)C)C[C@H]2CN(C(=O)c3cscn3)CC(=O)N21.
What is the InChIKey of (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is JDHMSSOCWPKQKB-DZKIICNBSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-11(2)5-16-14(18(25)21-12(3)4)6-13-7-22(8-17(24)23(13)16)19(26)15-9-27-10-20-15/h9-14,16H,5-8H2,1-4H3,(H,21,25)/t13-,14-,16-/m0/s1.
What are the key properties of (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
(6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8aS)-6-(2-methylpropyl)-4-oxo-N-propan-2-yl-2-(1,3-thiazole-4-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 155913230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).