4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C14H10N2OS — CID 18691220

IUPAC4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1sccc1-c1cn2ccc3occc3c2n1
InChIInChI=1S/C14H10N2OS/c1-9-10(4-7-18-9)12-8-16-5-2-13-11(3-6-17-13)14(16)15-12/h2-8H,1H3
InChIKeyCVKZJYYDVCWTSW-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.12
Rot. Bonds1

About 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 18691220) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID18691220
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1sccc1-c1cn2ccc3occc3c2n1
InChIInChI=1S/C14H10N2OS/c1-9-10(4-7-18-9)12-8-16-5-2-13-11(3-6-17-13)14(16)15-12/h2-8H,1H3
InChIKeyCVKZJYYDVCWTSW-UHFFFAOYSA-N
XLogP4.12
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 18691220) is 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1sccc1-c1cn2ccc3occc3c2n1.
What is the InChIKey of 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is CVKZJYYDVCWTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-9-10(4-7-18-9)12-8-16-5-2-13-11(3-6-17-13)14(16)15-12/h2-8H,1H3.
What are the key properties of 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 254.31 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthiophen-3-yl)-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 18691220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).