[2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C21H20ClN5OS — CID 171324373

IUPAC[2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC3CN(c4cnc(-c5ccc(Cl)cc5)cn4)CC3C2)cs1
InChIInChI=1S/C21H20ClN5OS/c1-13-25-19(12-29-13)21(28)27-10-15-8-26(9-16(15)11-27)20-7-23-18(6-24-20)14-2-4-17(22)5-3-14/h2-7,12,15-16H,8-11H2,1H3
InChIKeyFLTBPBDQZDTCSU-UHFFFAOYSA-N
MW425.95 g/mol
LogP3.77
Rot. Bonds3

About [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 171324373) has the molecular formula C21H20ClN5OS and a molecular weight of 425.95 g/mol. Its IUPAC name is [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID171324373
Molecular FormulaC21H20ClN5OS
Molecular Weight425.95 g/mol
Exact Mass425.11
IUPAC Name[2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC3CN(c4cnc(-c5ccc(Cl)cc5)cn4)CC3C2)cs1
InChIInChI=1S/C21H20ClN5OS/c1-13-25-19(12-29-13)21(28)27-10-15-8-26(9-16(15)11-27)20-7-23-18(6-24-20)14-2-4-17(22)5-3-14/h2-7,12,15-16H,8-11H2,1H3
InChIKeyFLTBPBDQZDTCSU-UHFFFAOYSA-N
XLogP3.77
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.95
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 166604552
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126932312
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
(2-methyl-1,3-thiazol-4-yl)-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 138387143
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646082
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131687702
2-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262900
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 146080695
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396

Frequently Asked Questions

What is the IUPAC name of [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 171324373) is [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CC3CN(c4cnc(-c5ccc(Cl)cc5)cn4)CC3C2)cs1.
What is the InChIKey of [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is FLTBPBDQZDTCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5OS/c1-13-25-19(12-29-13)21(28)27-10-15-8-26(9-16(15)11-27)20-7-23-18(6-24-20)14-2-4-17(22)5-3-14/h2-7,12,15-16H,8-11H2,1H3.
What are the key properties of [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 425.95 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 171324373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).