4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine

C14H10N4S — CID 90828077

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine
SMILESC1=NC(c2ccnc3[nH]ccc23)=c2scnc2=CC1
InChIInChI=1S/C14H10N4S/c1-2-11-13(19-8-18-11)12(15-5-1)9-3-6-16-14-10(9)4-7-17-14/h2-8H,1H2,(H,16,17)
InChIKeyNNFKGXPFRZHWEB-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.43
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine

4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine (PubChem CID 90828077) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine
PubChem CID90828077
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine
SMILESC1=NC(c2ccnc3[nH]ccc23)=c2scnc2=CC1
InChIInChI=1S/C14H10N4S/c1-2-11-13(19-8-18-11)12(15-5-1)9-3-6-16-14-10(9)4-7-17-14/h2-8H,1H2,(H,16,17)
InChIKeyNNFKGXPFRZHWEB-UHFFFAOYSA-N
XLogP1.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine (CID 90828077) is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine is C1=NC(c2ccnc3[nH]ccc23)=c2scnc2=CC1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine?
The InChIKey is NNFKGXPFRZHWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-11-13(19-8-18-11)12(15-5-1)9-3-6-16-14-10(9)4-7-17-14/h2-8H,1H2,(H,16,17).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine?
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine has a molecular weight of 266.33 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-[1,3]thiazolo[5,4-c]azepine is sourced from PubChem (CID 90828077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).