15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C22H20N2OS — CID 23596329

IUPAC15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)n1
InChIInChI=1S/C22H20N2OS/c1-13-12-26-21(23-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25)
InChIKeyXWVYWIMKFIEORA-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.08
Rot. Bonds2

About 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23596329) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23596329
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)n1
InChIInChI=1S/C22H20N2OS/c1-13-12-26-21(23-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25)
InChIKeyXWVYWIMKFIEORA-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23596329) is 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is Cc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)n1.
What is the InChIKey of 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is XWVYWIMKFIEORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-13-12-26-21(23-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25).
What are the key properties of 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23596329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).