N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide

C15H11FN2O2S — CID 177375444

IUPACN-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C15H11FN2O2S/c16-10-3-1-9(2-4-10)8-17-14(20)15-18-12-6-5-11(19)7-13(12)21-15/h1-7,19H,8H2,(H,17,20)
InChIKeyQCMGZLONJKZAJC-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.07
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide

N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide (PubChem CID 177375444) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
PubChem CID177375444
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC NameN-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C15H11FN2O2S/c16-10-3-1-9(2-4-10)8-17-14(20)15-18-12-6-5-11(19)7-13(12)21-15/h1-7,19H,8H2,(H,17,20)
InChIKeyQCMGZLONJKZAJC-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide (CID 177375444) is N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2ccc(O)cc2s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The InChIKey is QCMGZLONJKZAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-10-3-1-9(2-4-10)8-17-14(20)15-18-12-6-5-11(19)7-13(12)21-15/h1-7,19H,8H2,(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 177375444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).