N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide

C21H13FN4OS — CID 108752306

IUPACN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)c1cccc2ccccc12
InChIInChI=1S/C21H13FN4OS/c22-15-10-8-14(9-11-15)18-12-28-21-24-20(25-26(18)21)23-19(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,23,25,27)
InChIKeyXZALOSFHNTZGRH-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.00
Rot. Bonds3

About N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide (PubChem CID 108752306) has the molecular formula C21H13FN4OS and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
PubChem CID108752306
Molecular FormulaC21H13FN4OS
Molecular Weight388.43 g/mol
Exact Mass388.08
IUPAC NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)c1cccc2ccccc12
InChIInChI=1S/C21H13FN4OS/c22-15-10-8-14(9-11-15)18-12-28-21-24-20(25-26(18)21)23-19(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,23,25,27)
InChIKeyXZALOSFHNTZGRH-UHFFFAOYSA-N
XLogP5.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665
3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752211
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728321
methyl 3-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]benzoate
CID 108728393
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-iodobenzamide
CID 108752342
3,4,5-triethoxy-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752208
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
CID 108752967
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenoxybutanamide
CID 108752294
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752948
5-chloro-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752239
2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752831

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide (CID 108752306) is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide is O=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)c1cccc2ccccc12.
What is the InChIKey of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is XZALOSFHNTZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4OS/c22-15-10-8-14(9-11-15)18-12-28-21-24-20(25-26(18)21)23-19(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,23,25,27).
What are the key properties of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108752306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).