N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

C26H25N5O2S — CID 11503762

IUPACN-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCOc1ccc(Cc2csc(NC(=O)C3(C)CC4(C)c5ccccc5C3n3cnnc34)n2)cc1
InChIInChI=1S/C26H25N5O2S/c1-25-14-26(2,21(31-15-27-30-22(25)31)19-6-4-5-7-20(19)25)23(32)29-24-28-17(13-34-24)12-16-8-10-18(33-3)11-9-16/h4-11,13,15,21H,12,14H2,1-3H3,(H,28,29,32)
InChIKeyQXBWOPILIKHELF-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.59
Rot. Bonds5

About N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (PubChem CID 11503762) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
PubChem CID11503762
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCOc1ccc(Cc2csc(NC(=O)C3(C)CC4(C)c5ccccc5C3n3cnnc34)n2)cc1
InChIInChI=1S/C26H25N5O2S/c1-25-14-26(2,21(31-15-27-30-22(25)31)19-6-4-5-7-20(19)25)23(32)29-24-28-17(13-34-24)12-16-8-10-18(33-3)11-9-16/h4-11,13,15,21H,12,14H2,1-3H3,(H,28,29,32)
InChIKeyQXBWOPILIKHELF-UHFFFAOYSA-N
XLogP4.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (CID 11503762) is N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is COc1ccc(Cc2csc(NC(=O)C3(C)CC4(C)c5ccccc5C3n3cnnc34)n2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The InChIKey is QXBWOPILIKHELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-25-14-26(2,21(31-15-27-30-22(25)31)19-6-4-5-7-20(19)25)23(32)29-24-28-17(13-34-24)12-16-8-10-18(33-3)11-9-16/h4-11,13,15,21H,12,14H2,1-3H3,(H,28,29,32).
What are the key properties of N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is sourced from PubChem (CID 11503762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).