2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C18H13FN6O2S — CID 24672202

IUPAC2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN6O2S/c19-12-1-7-15(8-2-12)27-9-17-22-16(10-28-17)18(26)21-13-3-5-14(6-4-13)25-11-20-23-24-25/h1-8,10-11H,9H2,(H,21,26)
InChIKeyQFDSKRCDQYEEBF-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.09
Rot. Bonds6

About 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 24672202) has the molecular formula C18H13FN6O2S and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID24672202
Molecular FormulaC18H13FN6O2S
Molecular Weight396.41 g/mol
Exact Mass396.08
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN6O2S/c19-12-1-7-15(8-2-12)27-9-17-22-16(10-28-17)18(26)21-13-3-5-14(6-4-13)25-11-20-23-24-25/h1-8,10-11H,9H2,(H,21,26)
InChIKeyQFDSKRCDQYEEBF-UHFFFAOYSA-N
XLogP3.09
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672806
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672411
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672336
N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
CID 37363321
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 24672202) is 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QFDSKRCDQYEEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2S/c19-12-1-7-15(8-2-12)27-9-17-22-16(10-28-17)18(26)21-13-3-5-14(6-4-13)25-11-20-23-24-25/h1-8,10-11H,9H2,(H,21,26).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24672202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).