12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile

C15H10N4OS — CID 46205578

IUPAC12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccn3ccnc23)C1c1cccs1
InChIInChI=1S/C15H10N4OS/c16-8-10-12(11-2-1-7-21-11)9-3-5-19-6-4-18-15(19)13(9)20-14(10)17/h1-7,12H,17H2
InChIKeyLSOMQDQQDGZKFL-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.61
Rot. Bonds1

About 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile

12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile (PubChem CID 46205578) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile.

Molecular Properties

Compound Name12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile
PubChem CID46205578
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccn3ccnc23)C1c1cccs1
InChIInChI=1S/C15H10N4OS/c16-8-10-12(11-2-1-7-21-11)9-3-5-19-6-4-18-15(19)13(9)20-14(10)17/h1-7,12H,17H2
InChIKeyLSOMQDQQDGZKFL-UHFFFAOYSA-N
XLogP2.61
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile with MolForge

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Related Compounds

3,9-diamino-1,7-dithiophen-2-yl-1,7-dihydrochromeno[8,7-h]chromene-2,8-dicarbonitrile
CID 162787983
12-amino-10-(1,3-benzodioxol-5-yl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile
CID 141358981
(4S)-2-amino-4-thiophen-2-yl-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile
CID 876921
(1S)-3-amino-1-thiophen-2-yl-1H-benzo[f]chromene-2-carbonitrile
CID 968497
2-amino-5-oxo-6-phenyl-4-thiophen-2-yl-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4871562
methyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 679385
ethyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 682852
6-amino-3-ethyl-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3141758
(4R)-2-amino-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 698802
2-amino-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 4038201
ethyl (4S)-6-amino-5-cyano-2-propyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 754388
(4R)-6-amino-3-(4-chlorophenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 978777

Frequently Asked Questions

What is the IUPAC name of 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile?
The IUPAC name of 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile (CID 46205578) is 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile.
What is the SMILES notation for 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile?
The canonical SMILES for 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile is N#CC1=C(N)Oc2c(ccn3ccnc23)C1c1cccs1.
What is the InChIKey of 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile?
The InChIKey is LSOMQDQQDGZKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-8-10-12(11-2-1-7-21-11)9-3-5-19-6-4-18-15(19)13(9)20-14(10)17/h1-7,12H,17H2.
What are the key properties of 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile?
12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile has a molecular weight of 294.34 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-amino-10-thiophen-2-yl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-11-carbonitrile is sourced from PubChem (CID 46205578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).