12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

C16H16N6O2S — CID 58801438

IUPAC12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNc1nc2sc(C(=O)NCc3ccc(C)o3)nc2c2c1ncn2C
InChIInChI=1S/C16H16N6O2S/c1-8-4-5-9(24-8)6-18-14(23)16-20-11-12-10(19-7-22(12)3)13(17-2)21-15(11)25-16/h4-5,7H,6H2,1-3H3,(H,17,21)(H,18,23)
InChIKeyIQBOXJWJSIAOQT-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.45
Rot. Bonds4

About 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (PubChem CID 58801438) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.

Molecular Properties

Compound Name12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
PubChem CID58801438
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNc1nc2sc(C(=O)NCc3ccc(C)o3)nc2c2c1ncn2C
InChIInChI=1S/C16H16N6O2S/c1-8-4-5-9(24-8)6-18-14(23)16-20-11-12-10(19-7-22(12)3)13(17-2)21-15(11)25-16/h4-5,7H,6H2,1-3H3,(H,17,21)(H,18,23)
InChIKeyIQBOXJWJSIAOQT-UHFFFAOYSA-N
XLogP2.45
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The IUPAC name of 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (CID 58801438) is 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.
What is the SMILES notation for 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The canonical SMILES for 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is CNc1nc2sc(C(=O)NCc3ccc(C)o3)nc2c2c1ncn2C.
What is the InChIKey of 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The InChIKey is IQBOXJWJSIAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-8-4-5-9(24-8)6-18-14(23)16-20-11-12-10(19-7-22(12)3)13(17-2)21-15(11)25-16/h4-5,7H,6H2,1-3H3,(H,17,21)(H,18,23).
What are the key properties of 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-8-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is sourced from PubChem (CID 58801438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).