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

C14H14N6O2S — CID 2564183

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cn3cnnn3)sc2C)cc1
InChIInChI=1S/C14H14N6O2S/c1-9-13(10-3-5-11(22-2)6-4-10)17-14(23-9)16-12(21)7-20-8-15-18-19-20/h3-6,8H,7H2,1-2H3,(H,16,17,21)
InChIKeyPQRZONQIULTWJL-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.75
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 2564183) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID2564183
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cn3cnnn3)sc2C)cc1
InChIInChI=1S/C14H14N6O2S/c1-9-13(10-3-5-11(22-2)6-4-10)17-14(23-9)16-12(21)7-20-8-15-18-19-20/h3-6,8H,7H2,1-2H3,(H,16,17,21)
InChIKeyPQRZONQIULTWJL-UHFFFAOYSA-N
XLogP1.75
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-thioxoimidazolidin-4-one
CID 898321
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2409521
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 23962702
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155532011
N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide
CID 1252674
N-(4,5-Bis(4-methoxyphenyl)-2-thiazolyl)acetamide
CID 1266017
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 24686160
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155548946
Hydantoin, 1-(4-(p-methoxyphenyl)-2-thiazolyl)-
CID 3060459
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 9274833

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 2564183) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is COc1ccc(-c2nc(NC(=O)Cn3cnnn3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is PQRZONQIULTWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-9-13(10-3-5-11(22-2)6-4-10)17-14(23-9)16-12(21)7-20-8-15-18-19-20/h3-6,8H,7H2,1-2H3,(H,16,17,21).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 330.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2564183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).