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

C13H12N6O2S — CID 110502649

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3nn[nH]n3)n2)cc1
InChIInChI=1S/C13H12N6O2S/c1-21-9-4-2-8(3-5-9)10-7-22-13(14-10)15-12(20)6-11-16-18-19-17-11/h2-5,7H,6H2,1H3,(H,14,15,20)(H,16,17,18,19)
InChIKeyZWXGILMZOIWWKB-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.51
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110502649) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110502649
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3nn[nH]n3)n2)cc1
InChIInChI=1S/C13H12N6O2S/c1-21-9-4-2-8(3-5-9)10-7-22-13(14-10)15-12(20)6-11-16-18-19-17-11/h2-5,7H,6H2,1H3,(H,14,15,20)(H,16,17,18,19)
InChIKeyZWXGILMZOIWWKB-UHFFFAOYSA-N
XLogP1.51
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502620
N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 110502623
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
CID 35271838
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide (CID 110502649) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide is COc1ccc(-c2csc(NC(=O)Cc3nn[nH]n3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is ZWXGILMZOIWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c1-21-9-4-2-8(3-5-9)10-7-22-13(14-10)15-12(20)6-11-16-18-19-17-11/h2-5,7H,6H2,1H3,(H,14,15,20)(H,16,17,18,19).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 316.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110502649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).