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

C17H11N5O3S — CID 68731683

IUPAC[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1ccc2occc2c1
InChIInChI=1S/C17H11N5O3S/c18-6-9-11(8-1-2-10-7(5-8)3-4-24-10)12-13(19)16(25-17(21)23)26-15(12)22-14(9)20/h1-5H,19H2,(H2,20,22)(H2,21,23)
InChIKeySGAHORYOKKQHGU-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.20
Rot. Bonds2

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

[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 68731683) has the molecular formula C17H11N5O3S and a molecular weight of 365.37 g/mol. Its IUPAC name is [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID68731683
Molecular FormulaC17H11N5O3S
Molecular Weight365.37 g/mol
Exact Mass365.06
IUPAC Name[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1ccc2occc2c1
InChIInChI=1S/C17H11N5O3S/c18-6-9-11(8-1-2-10-7(5-8)3-4-24-10)12-13(19)16(25-17(21)23)26-15(12)22-14(9)20/h1-5H,19H2,(H2,20,22)(H2,21,23)
InChIKeySGAHORYOKKQHGU-UHFFFAOYSA-N
XLogP3.20
TPSA154.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 68750235
3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3117016
3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 11220276
3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240
ethyl 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23775054
[3-amino-4-(1-benzofuran-2-yl)-5-cyano-6-(3-methoxypropylamino)thieno[2,3-b]pyridin-2-yl] carbamate
CID 68729344
[3-amino-4-(1-benzofuran-2-yl)-5-cyano-6-(4-pyrrolidin-1-ylpiperidin-1-yl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 71133847
3,6-diamino-5-cyano-N,4-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23733033
[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134994
[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
CID 23109671
[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
CID 23135000
3,6-diamino-4-(3-fluorophenyl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 135393895

Frequently Asked Questions

What is the IUPAC name of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate (CID 68731683) is [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate is N#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1ccc2occc2c1.
What is the InChIKey of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is SGAHORYOKKQHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3S/c18-6-9-11(8-1-2-10-7(5-8)3-4-24-10)12-13(19)16(25-17(21)23)26-15(12)22-14(9)20/h1-5H,19H2,(H2,20,22)(H2,21,23).
What are the key properties of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 365.37 g/mol, XLogP of 3.20, 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-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 68731683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).