2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole

C21H29N5S — CID 126933445

IUPAC2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole
SMILESCc1ncnc(N2CC3CN(Cc4csc(C5CCCC5)n4)CC3C2)c1C
InChIInChI=1S/C21H29N5S/c1-14-15(2)22-13-23-20(14)26-9-17-7-25(8-18(17)10-26)11-19-12-27-21(24-19)16-5-3-4-6-16/h12-13,16-18H,3-11H2,1-2H3
InChIKeyXZBODYUQSDAFCC-UHFFFAOYSA-N
MW383.57 g/mol
LogP3.78
Rot. Bonds4

About 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole

2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole (PubChem CID 126933445) has the molecular formula C21H29N5S and a molecular weight of 383.57 g/mol. Its IUPAC name is 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole
PubChem CID126933445
Molecular FormulaC21H29N5S
Molecular Weight383.57 g/mol
Exact Mass383.21
IUPAC Name2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole
SMILESCc1ncnc(N2CC3CN(Cc4csc(C5CCCC5)n4)CC3C2)c1C
InChIInChI=1S/C21H29N5S/c1-14-15(2)22-13-23-20(14)26-9-17-7-25(8-18(17)10-26)11-19-12-27-21(24-19)16-5-3-4-6-16/h12-13,16-18H,3-11H2,1-2H3
InChIKeyXZBODYUQSDAFCC-UHFFFAOYSA-N
XLogP3.78
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole
CID 126933521
3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 126933453
2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927059
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole
CID 86792052
[(3R,4R)-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758737
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-[(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95611811

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole (CID 126933445) is 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole is Cc1ncnc(N2CC3CN(Cc4csc(C5CCCC5)n4)CC3C2)c1C.
What is the InChIKey of 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
The InChIKey is XZBODYUQSDAFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5S/c1-14-15(2)22-13-23-20(14)26-9-17-7-25(8-18(17)10-26)11-19-12-27-21(24-19)16-5-3-4-6-16/h12-13,16-18H,3-11H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole has a molecular weight of 383.57 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126933445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).