(15R)-8-cyano-15-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

C22H17N3OS — CID 44565647

IUPAC(15R)-8-cyano-15-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
SMILESC[C@@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12
InChIInChI=1S/C22H17N3OS/c1-21(19(26)25-20-24-10-11-27-20)12-22(13-23)16-8-4-2-6-14(16)18(21)15-7-3-5-9-17(15)22/h2-11,18H,12H2,1H3,(H,24,25,26)/t18?,21-,22?/m1/s1
InChIKeyKNTPSJWEFWVLCP-NFOQDIRWSA-N
MW371.47 g/mol
LogP4.45
Rot. Bonds2

About (15R)-8-cyano-15-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

(15R)-8-cyano-15-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 44565647) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is (15R)-8-cyano-15-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 Name(15R)-8-cyano-15-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 CID44565647
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name(15R)-8-cyano-15-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
SMILESC[C@@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12
InChIInChI=1S/C22H17N3OS/c1-21(19(26)25-20-24-10-11-27-20)12-22(13-23)16-8-4-2-6-14(16)18(21)15-7-3-5-9-17(15)22/h2-11,18H,12H2,1H3,(H,24,25,26)/t18?,21-,22?/m1/s1
InChIKeyKNTPSJWEFWVLCP-NFOQDIRWSA-N
XLogP4.45
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (15R)-8-cyano-15-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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Frequently Asked Questions

What is the IUPAC name of (15R)-8-cyano-15-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 (15R)-8-cyano-15-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 44565647) is (15R)-8-cyano-15-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 (15R)-8-cyano-15-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 (15R)-8-cyano-15-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 C[C@@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12.
What is the InChIKey of (15R)-8-cyano-15-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 KNTPSJWEFWVLCP-NFOQDIRWSA-N. The full InChI is InChI=1S/C22H17N3OS/c1-21(19(26)25-20-24-10-11-27-20)12-22(13-23)16-8-4-2-6-14(16)18(21)15-7-3-5-9-17(15)22/h2-11,18H,12H2,1H3,(H,24,25,26)/t18?,21-,22?/m1/s1.
What are the key properties of (15R)-8-cyano-15-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?
(15R)-8-cyano-15-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 371.47 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-8-cyano-15-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 44565647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).