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

C12H9FN6OS — CID 110502620

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C12H9FN6OS/c13-8-3-1-7(2-4-8)9-6-21-12(14-9)15-11(20)5-10-16-18-19-17-10/h1-4,6H,5H2,(H,14,15,20)(H,16,17,18,19)
InChIKeyXFKKGLLBSRHXRL-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.64
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110502620) has the molecular formula C12H9FN6OS and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110502620
Molecular FormulaC12H9FN6OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C12H9FN6OS/c13-8-3-1-7(2-4-8)9-6-21-12(14-9)15-11(20)5-10-16-18-19-17-10/h1-4,6H,5H2,(H,14,15,20)(H,16,17,18,19)
InChIKeyXFKKGLLBSRHXRL-UHFFFAOYSA-N
XLogP1.64
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 110502623
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502649
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 46927797
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide (CID 110502620) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is XFKKGLLBSRHXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6OS/c13-8-3-1-7(2-4-8)9-6-21-12(14-9)15-11(20)5-10-16-18-19-17-10/h1-4,6H,5H2,(H,14,15,20)(H,16,17,18,19).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110502620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).