3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene

C12H7NOS — CID 138984926

IUPAC3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene
SMILESc1cc2c([nH]1)c1ccoc1c1ccsc21
InChIInChI=1S/C12H7NOS/c1-4-13-10-7-2-5-14-11(7)9-3-6-15-12(9)8(1)10/h1-6,13H
InChIKeyQSJWLTILIGCZBN-UHFFFAOYSA-N
MW213.26 g/mol
LogP4.13
Rot. Bonds

About 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene

3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene (PubChem CID 138984926) has the molecular formula C12H7NOS and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene.

Molecular Properties

Compound Name3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene
PubChem CID138984926
Molecular FormulaC12H7NOS
Molecular Weight213.26 g/mol
Exact Mass213.02
IUPAC Name3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene
SMILESc1cc2c([nH]1)c1ccoc1c1ccsc21
InChIInChI=1S/C12H7NOS/c1-4-13-10-7-2-5-14-11(7)9-3-6-15-12(9)8(1)10/h1-6,13H
InChIKeyQSJWLTILIGCZBN-UHFFFAOYSA-N
XLogP4.13
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1h-Furo[2,3-g]indole
CID 45122600
Methyl 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-8-carboxylate
CID 138984777
Methyl 4-bromo-3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-8-carboxylate
CID 138984778
7H-Furo[3,2-f]indole
CID 22238097
[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone
CID 22727389
6H-furo[2,3-e]indole
CID 67702776
7H-furo[3,2-f]indol-4-amine
CID 69035210
3,5-dimethyl-7H-furo[3,2-f]indole
CID 69040784
18-Pyridin-3-yl-9-oxa-27-thia-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 117726096
18-Pyridin-4-yl-9-oxa-27-thia-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 117726107
27-Pyridin-4-yl-9-oxa-18-thia-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 117726224
27-Pyridin-3-yl-9-oxa-18-thia-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 117726325

Frequently Asked Questions

What is the IUPAC name of 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene?
The IUPAC name of 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene (CID 138984926) is 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene.
What is the SMILES notation for 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene?
The canonical SMILES for 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene is c1cc2c([nH]1)c1ccoc1c1ccsc21.
What is the InChIKey of 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene?
The InChIKey is QSJWLTILIGCZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NOS/c1-4-13-10-7-2-5-14-11(7)9-3-6-15-12(9)8(1)10/h1-6,13H.
What are the key properties of 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene?
3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene has a molecular weight of 213.26 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-13-thia-8-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene is sourced from PubChem (CID 138984926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).