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

C21H18N2OS — CID 171988441

IUPAC16-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1nccs1
InChIInChI=1S/C21H18N2OS/c1-12-17-13-6-2-4-8-15(13)19(16-9-5-3-7-14(16)17)18(12)20(24)23-21-22-10-11-25-21/h2-12,17-19H,1H3,(H,22,23,24)
InChIKeyHXDHUKMZGNOJKF-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.62
Rot. Bonds2

About 16-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

16-methyl-N-(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 171988441) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 16-methyl-N-(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 Name16-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID171988441
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name16-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1nccs1
InChIInChI=1S/C21H18N2OS/c1-12-17-13-6-2-4-8-15(13)19(16-9-5-3-7-14(16)17)18(12)20(24)23-21-22-10-11-25-21/h2-12,17-19H,1H3,(H,22,23,24)
InChIKeyHXDHUKMZGNOJKF-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16-methyl-N-(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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-N-(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 16-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 171988441) is 16-methyl-N-(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 16-methyl-N-(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 16-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1nccs1.
What is the InChIKey of 16-methyl-N-(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 HXDHUKMZGNOJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-12-17-13-6-2-4-8-15(13)19(16-9-5-3-7-14(16)17)18(12)20(24)23-21-22-10-11-25-21/h2-12,17-19H,1H3,(H,22,23,24).
What are the key properties of 16-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
16-methyl-N-(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 346.46 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-N-(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 171988441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).