N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide

C24H23N5OS — CID 154659439

IUPACN-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H]1CCN2c3ccc(C#N)cc3[C@@H](C)c3ccccc3[C@@H]2C1
InChIInChI=1S/C24H23N5OS/c1-14-18-5-3-4-6-19(18)22-12-17(26-24(30)23-15(2)27-28-31-23)9-10-29(22)21-8-7-16(13-25)11-20(14)21/h3-8,11,14,17,22H,9-10,12H2,1-2H3,(H,26,30)/t14-,17-,22-/m0/s1
InChIKeyBUWMTEGCNUYHSZ-JKXTWKSPSA-N
MW429.55 g/mol
LogP4.32
Rot. Bonds2

About N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide

N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 154659439) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID154659439
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC NameN-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H]1CCN2c3ccc(C#N)cc3[C@@H](C)c3ccccc3[C@@H]2C1
InChIInChI=1S/C24H23N5OS/c1-14-18-5-3-4-6-19(18)22-12-17(26-24(30)23-15(2)27-28-31-23)9-10-29(22)21-8-7-16(13-25)11-20(14)21/h3-8,11,14,17,22H,9-10,12H2,1-2H3,(H,26,30)/t14-,17-,22-/m0/s1
InChIKeyBUWMTEGCNUYHSZ-JKXTWKSPSA-N
XLogP4.32
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide (CID 154659439) is N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@H]1CCN2c3ccc(C#N)cc3[C@@H](C)c3ccccc3[C@@H]2C1.
What is the InChIKey of N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is BUWMTEGCNUYHSZ-JKXTWKSPSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-14-18-5-3-4-6-19(18)22-12-17(26-24(30)23-15(2)27-28-31-23)9-10-29(22)21-8-7-16(13-25)11-20(14)21/h3-8,11,14,17,22H,9-10,12H2,1-2H3,(H,26,30)/t14-,17-,22-/m0/s1.
What are the key properties of N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide?
N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7S,14S)-17-cyano-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 154659439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).