N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C18H12F2N6OS — CID 55630384

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C18H12F2N6OS/c19-12-3-6-15(20)14(8-12)16-9-28-18(22-16)23-17(27)7-11-1-4-13(5-2-11)26-10-21-24-25-26/h1-6,8-10H,7H2,(H,22,23,27)
InChIKeyYQOGOAAUIOHBIV-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55630384) has the molecular formula C18H12F2N6OS and a molecular weight of 398.40 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55630384
Molecular FormulaC18H12F2N6OS
Molecular Weight398.40 g/mol
Exact Mass398.08
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C18H12F2N6OS/c19-12-3-6-15(20)14(8-12)16-9-28-18(22-16)23-17(27)7-11-1-4-13(5-2-11)26-10-21-24-25-26/h1-6,8-10H,7H2,(H,22,23,27)
InChIKeyYQOGOAAUIOHBIV-UHFFFAOYSA-N
XLogP3.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30876196
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866667
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42970950
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16529731
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 34518213
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089737
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888834
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55811361

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55630384) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is YQOGOAAUIOHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6OS/c19-12-3-6-15(20)14(8-12)16-9-28-18(22-16)23-17(27)7-11-1-4-13(5-2-11)26-10-21-24-25-26/h1-6,8-10H,7H2,(H,22,23,27).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 398.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55630384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).