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

C28H23FN2OS — CID 23596203

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H23FN2OS/c1-28(26(32)31-27-30-16-19(33-27)14-17-10-12-18(29)13-11-17)15-24-20-6-2-4-8-22(20)25(28)23-9-5-3-7-21(23)24/h2-13,16,24-25H,14-15H2,1H3,(H,30,31,32)
InChIKeyYTRDELKYDOGWGW-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.50
Rot. Bonds4

About N-[5-[(4-fluorophenyl)methyl]-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-[5-[(4-fluorophenyl)methyl]-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 23596203) has the molecular formula C28H23FN2OS and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-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-[5-[(4-fluorophenyl)methyl]-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 CID23596203
Molecular FormulaC28H23FN2OS
Molecular Weight454.57 g/mol
Exact Mass454.15
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H23FN2OS/c1-28(26(32)31-27-30-16-19(33-27)14-17-10-12-18(29)13-11-17)15-24-20-6-2-4-8-22(20)25(28)23-9-5-3-7-21(23)24/h2-13,16,24-25H,14-15H2,1H3,(H,30,31,32)
InChIKeyYTRDELKYDOGWGW-UHFFFAOYSA-N
XLogP6.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[(4-fluorophenyl)methyl]-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-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-[5-[(4-fluorophenyl)methyl]-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 23596203) is N-[5-[(4-fluorophenyl)methyl]-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-[5-[(4-fluorophenyl)methyl]-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-[5-[(4-fluorophenyl)methyl]-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 CC1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-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 YTRDELKYDOGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2OS/c1-28(26(32)31-27-30-16-19(33-27)14-17-10-12-18(29)13-11-17)15-24-20-6-2-4-8-22(20)25(28)23-9-5-3-7-21(23)24/h2-13,16,24-25H,14-15H2,1H3,(H,30,31,32).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-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-[5-[(4-fluorophenyl)methyl]-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 454.57 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-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 23596203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).