N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C11H7FN6OS — CID 63038441

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1cscn1
InChIInChI=1S/C11H7FN6OS/c12-8-2-1-7(18-5-14-16-17-18)3-9(8)15-11(19)10-4-20-6-13-10/h1-6H,(H,15,19)
InChIKeyXDBLZPMLJBPMGC-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.51
Rot. Bonds3

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 63038441) has the molecular formula C11H7FN6OS and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID63038441
Molecular FormulaC11H7FN6OS
Molecular Weight290.28 g/mol
Exact Mass290.04
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1cscn1
InChIInChI=1S/C11H7FN6OS/c12-8-2-1-7(18-5-14-16-17-18)3-9(8)15-11(19)10-4-20-6-13-10/h1-6H,(H,15,19)
InChIKeyXDBLZPMLJBPMGC-UHFFFAOYSA-N
XLogP1.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51090541
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide
CID 51090537
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55813793
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55812153
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 63038441) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(-n2cnnn2)ccc1F)c1cscn1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XDBLZPMLJBPMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN6OS/c12-8-2-1-7(18-5-14-16-17-18)3-9(8)15-11(19)10-4-20-6-13-10/h1-6H,(H,15,19).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).