2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine

C18H16F3N5S — CID 155975188

IUPAC2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cccnc1N1CC2CN(c3nc4cnccc4s3)CC2C1
InChIInChI=1S/C18H16F3N5S/c19-18(20,21)13-2-1-4-23-16(13)25-7-11-9-26(10-12(11)8-25)17-24-14-6-22-5-3-15(14)27-17/h1-6,11-12H,7-10H2
InChIKeyHKKPWWJYZRZDPC-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.68
Rot. Bonds2

About 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 155975188) has the molecular formula C18H16F3N5S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID155975188
Molecular FormulaC18H16F3N5S
Molecular Weight391.42 g/mol
Exact Mass391.11
IUPAC Name2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cccnc1N1CC2CN(c3nc4cnccc4s3)CC2C1
InChIInChI=1S/C18H16F3N5S/c19-18(20,21)13-2-1-4-23-16(13)25-7-11-9-26(10-12(11)8-25)17-24-14-6-22-5-3-15(14)27-17/h1-6,11-12H,7-10H2
InChIKeyHKKPWWJYZRZDPC-UHFFFAOYSA-N
XLogP3.68
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Related Compounds

2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166601649
(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570
2-[3-(triazol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 146079856
2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154829542
4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155975230
(4aS,7aS)-6-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683963
2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 155974323
2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154583364
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154882869
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166605628
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
(3S,4S)-4-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 122063982

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 155975188) is 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine is FC(F)(F)c1cccnc1N1CC2CN(c3nc4cnccc4s3)CC2C1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is HKKPWWJYZRZDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5S/c19-18(20,21)13-2-1-4-23-16(13)25-7-11-9-26(10-12(11)8-25)17-24-14-6-22-5-3-15(14)27-17/h1-6,11-12H,7-10H2.
What are the key properties of 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 391.42 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 155975188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).