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

C12H18N4S — CID 121185568

IUPAC2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC3CN(C4CC4)CC3C2)s1
InChIInChI=1S/C12H18N4S/c1-8-13-14-12(17-8)16-6-9-4-15(11-2-3-11)5-10(9)7-16/h9-11H,2-7H2,1H3
InChIKeySPOMFFNCMASNPL-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.38
Rot. Bonds2

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

2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 121185568) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID121185568
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC3CN(C4CC4)CC3C2)s1
InChIInChI=1S/C12H18N4S/c1-8-13-14-12(17-8)16-6-9-4-15(11-2-3-11)5-10(9)7-16/h9-11H,2-7H2,1H3
InChIKeySPOMFFNCMASNPL-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole (CID 121185568) is 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CC3CN(C4CC4)CC3C2)s1.
What is the InChIKey of 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is SPOMFFNCMASNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8-13-14-12(17-8)16-6-9-4-15(11-2-3-11)5-10(9)7-16/h9-11H,2-7H2,1H3.
What are the key properties of 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole?
2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 250.37 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 121185568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).