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

C20H18N6O2S2 — CID 3884737

IUPAC2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C20H18N6O2S2/c1-13-7-9-14(10-8-13)15-11-29-19(21-15)22-18(27)12-30-20-23-24-25-26(20)16-5-3-4-6-17(16)28-2/h3-11H,12H2,1-2H3,(H,21,22,27)
InChIKeyYOCUXFGSUMBRMR-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.83
Rot. Bonds7

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

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3884737) has the molecular formula C20H18N6O2S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID3884737
Molecular FormulaC20H18N6O2S2
Molecular Weight438.54 g/mol
Exact Mass438.09
IUPAC Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C20H18N6O2S2/c1-13-7-9-14(10-8-13)15-11-29-19(21-15)22-18(27)12-30-20-23-24-25-26(20)16-5-3-4-6-17(16)28-2/h3-11H,12H2,1-2H3,(H,21,22,27)
InChIKeyYOCUXFGSUMBRMR-UHFFFAOYSA-N
XLogP3.83
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 16958886
2-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 126369011
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16608830
2-[[5-[1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43869427
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 55997540
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021873
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 35730017
N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16536120
N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 997307
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3671100
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 3884737) is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YOCUXFGSUMBRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2/c1-13-7-9-14(10-8-13)15-11-29-19(21-15)22-18(27)12-30-20-23-24-25-26(20)16-5-3-4-6-17(16)28-2/h3-11H,12H2,1-2H3,(H,21,22,27).
What are the key properties of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 438.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3884737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).