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

C18H23N5S — CID 126932774

IUPAC5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CC3CN(c4cc(C5CC5)ncn4)CC3C2)s1
InChIInChI=1S/C18H23N5S/c1-12-19-5-16(24-12)10-22-6-14-8-23(9-15(14)7-22)18-4-17(13-2-3-13)20-11-21-18/h4-5,11,13-15H,2-3,6-10H2,1H3
InChIKeySGAMXCLFWCZJNC-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.69
Rot. Bonds4

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

5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 126932774) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID126932774
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CC3CN(c4cc(C5CC5)ncn4)CC3C2)s1
InChIInChI=1S/C18H23N5S/c1-12-19-5-16(24-12)10-22-6-14-8-23(9-15(14)7-22)18-4-17(13-2-3-13)20-11-21-18/h4-5,11,13-15H,2-3,6-10H2,1H3
InChIKeySGAMXCLFWCZJNC-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126932790
3-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 126932705
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126933715
4-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126932779
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126932768
5-(6-cyclopropylpyrimidin-4-yl)-2-[(1-methylimidazol-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932785
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methylpyrimidin-4-one
CID 126932746
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
CID 126933714
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,3-oxazole
CID 126933779
5-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-methyl-1,2-oxazole
CID 126932787
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1-methylpyrimidin-2-one
CID 126932734
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126933770

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole (CID 126932774) is 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(CN2CC3CN(c4cc(C5CC5)ncn4)CC3C2)s1.
What is the InChIKey of 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is SGAMXCLFWCZJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-12-19-5-16(24-12)10-22-6-14-8-23(9-15(14)7-22)18-4-17(13-2-3-13)20-11-21-18/h4-5,11,13-15H,2-3,6-10H2,1H3.
What are the key properties of 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole?
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 341.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 126932774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).