N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C23H22N2OS — CID 23596330

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1nc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)sc1C
InChIInChI=1S/C23H22N2OS/c1-13-14(2)27-22(24-13)25-21(26)23(3)12-19-15-8-4-6-10-17(15)20(23)18-11-7-5-9-16(18)19/h4-11,19-20H,12H2,1-3H3,(H,24,25,26)
InChIKeyWNJJVXQAJXMKMQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.39
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23596330) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23596330
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1nc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)sc1C
InChIInChI=1S/C23H22N2OS/c1-13-14(2)27-22(24-13)25-21(26)23(3)12-19-15-8-4-6-10-17(15)20(23)18-11-7-5-9-16(18)19/h4-11,19-20H,12H2,1-3H3,(H,24,25,26)
InChIKeyWNJJVXQAJXMKMQ-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[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 N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23596330) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is Cc1nc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is WNJJVXQAJXMKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-13-14(2)27-22(24-13)25-21(26)23(3)12-19-15-8-4-6-10-17(15)20(23)18-11-7-5-9-16(18)19/h4-11,19-20H,12H2,1-3H3,(H,24,25,26).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23596330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).