[3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate

C17H11N5O2S2 — CID 68731318

IUPAC[3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1csc2ccccc12
InChIInChI=1S/C17H11N5O2S2/c18-5-8-11(9-6-25-10-4-2-1-3-7(9)10)12-13(19)16(24-17(21)23)26-15(12)22-14(8)20/h1-4,6H,19H2,(H2,20,22)(H2,21,23)
InChIKeyRVGGLECZFNNQPT-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.67
Rot. Bonds2

About [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate

[3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 68731318) has the molecular formula C17H11N5O2S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID68731318
Molecular FormulaC17H11N5O2S2
Molecular Weight381.44 g/mol
Exact Mass381.04
IUPAC Name[3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1csc2ccccc12
InChIInChI=1S/C17H11N5O2S2/c18-5-8-11(9-6-25-10-4-2-1-3-7(9)10)12-13(19)16(24-17(21)23)26-15(12)22-14(8)20/h1-4,6H,19H2,(H2,20,22)(H2,21,23)
InChIKeyRVGGLECZFNNQPT-UHFFFAOYSA-N
XLogP3.67
TPSA141.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate (CID 68731318) is [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate is N#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1csc2ccccc12.
What is the InChIKey of [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is RVGGLECZFNNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2S2/c18-5-8-11(9-6-25-10-4-2-1-3-7(9)10)12-13(19)16(24-17(21)23)26-15(12)22-14(8)20/h1-4,6H,19H2,(H2,20,22)(H2,21,23).
What are the key properties of [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
[3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 381.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-diamino-4-(1-benzothiophen-3-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 68731318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).