[2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

C14H17N3OS — CID 155980244

IUPAC[2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1nc3cnccc3s1)C2
InChIInChI=1S/C14H17N3OS/c18-9-14-4-1-2-10(14)7-17(8-14)13-16-11-6-15-5-3-12(11)19-13/h3,5-6,10,18H,1-2,4,7-9H2
InChIKeyUGMPLKZFRXNFOR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.29
Rot. Bonds2

About [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

[2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (PubChem CID 155980244) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
PubChem CID155980244
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name[2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1nc3cnccc3s1)C2
InChIInChI=1S/C14H17N3OS/c18-9-14-4-1-2-10(14)7-17(8-14)13-16-11-6-15-5-3-12(11)19-13/h3,5-6,10,18H,1-2,4,7-9H2
InChIKeyUGMPLKZFRXNFOR-UHFFFAOYSA-N
XLogP2.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (CID 155980244) is [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is OCC12CCCC1CN(c1nc3cnccc3s1)C2.
What is the InChIKey of [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The InChIKey is UGMPLKZFRXNFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-9-14-4-1-2-10(14)7-17(8-14)13-16-11-6-15-5-3-12(11)19-13/h3,5-6,10,18H,1-2,4,7-9H2.
What are the key properties of [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
[2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol has a molecular weight of 275.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 155980244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).