N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide

C22H15BrN2O2S — CID 126061401

IUPACN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc4ccccc34)sc1C2
InChIInChI=1S/C22H15BrN2O2S/c1-27-17-10-9-16(23)15-11-18-20(19(15)17)24-22(28-18)25-21(26)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,24,25,26)
InChIKeyXBKRQFPKSUYLPI-UHFFFAOYSA-N
MW451.35 g/mol
LogP5.89
Rot. Bonds3

About N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide

N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 126061401) has the molecular formula C22H15BrN2O2S and a molecular weight of 451.35 g/mol. Its IUPAC name is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
PubChem CID126061401
Molecular FormulaC22H15BrN2O2S
Molecular Weight451.35 g/mol
Exact Mass450.00
IUPAC NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc4ccccc34)sc1C2
InChIInChI=1S/C22H15BrN2O2S/c1-27-17-10-9-16(23)15-11-18-20(19(15)17)24-22(28-18)25-21(26)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,24,25,26)
InChIKeyXBKRQFPKSUYLPI-UHFFFAOYSA-N
XLogP5.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide (CID 126061401) is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide is COc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc4ccccc34)sc1C2.
What is the InChIKey of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is XBKRQFPKSUYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O2S/c1-27-17-10-9-16(23)15-11-18-20(19(15)17)24-22(28-18)25-21(26)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,24,25,26).
What are the key properties of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 451.35 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 126061401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).