2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide

C18H12F2N6OS — CID 24764832

IUPAC2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nnc(-c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)s3)c2)n1
InChIInChI=1S/C18H12F2N6OS/c1-26-24-16(23-25-26)11-5-2-4-10(8-11)14-9-21-18(28-14)22-17(27)15-12(19)6-3-7-13(15)20/h2-9H,1H3,(H,21,22,27)
InChIKeyIMZJBQQCIJHXAQ-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.53
Rot. Bonds4

About 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide

2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 24764832) has the molecular formula C18H12F2N6OS and a molecular weight of 398.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID24764832
Molecular FormulaC18H12F2N6OS
Molecular Weight398.40 g/mol
Exact Mass398.08
IUPAC Name2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nnc(-c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)s3)c2)n1
InChIInChI=1S/C18H12F2N6OS/c1-26-24-16(23-25-26)11-5-2-4-10(8-11)14-9-21-18(28-14)22-17(27)15-12(19)6-3-7-13(15)20/h2-9H,1H3,(H,21,22,27)
InChIKeyIMZJBQQCIJHXAQ-UHFFFAOYSA-N
XLogP3.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 24764832) is 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide is Cn1nnc(-c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)s3)c2)n1.
What is the InChIKey of 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is IMZJBQQCIJHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6OS/c1-26-24-16(23-25-26)11-5-2-4-10(8-11)14-9-21-18(28-14)22-17(27)15-12(19)6-3-7-13(15)20/h2-9H,1H3,(H,21,22,27).
What are the key properties of 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 398.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[3-(2-methyltetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24764832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).