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

C22H22N6OS2 — CID 1405224

IUPAC2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C22H22N6OS2/c1-3-16-8-10-18(11-9-16)28-22(25-26-27-28)30-14-20(29)24-21-23-13-19(31-21)12-17-6-4-15(2)5-7-17/h4-11,13H,3,12,14H2,1-2H3,(H,23,24,29)
InChIKeyBRJBRFYXZBBXNN-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.31
Rot. Bonds8

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

2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 1405224) has the molecular formula C22H22N6OS2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID1405224
Molecular FormulaC22H22N6OS2
Molecular Weight450.59 g/mol
Exact Mass450.13
IUPAC Name2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C22H22N6OS2/c1-3-16-8-10-18(11-9-16)28-22(25-26-27-28)30-14-20(29)24-21-23-13-19(31-21)12-17-6-4-15(2)5-7-17/h4-11,13H,3,12,14H2,1-2H3,(H,23,24,29)
InChIKeyBRJBRFYXZBBXNN-UHFFFAOYSA-N
XLogP4.31
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9458997
N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449734
ethyl 2-[[2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 3675330
N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405208
N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 18874225
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 7465223
methyl 4-[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 3189409
2-[[2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 18874200
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616
N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2369835

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 1405224) is 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is CCc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BRJBRFYXZBBXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS2/c1-3-16-8-10-18(11-9-16)28-22(25-26-27-28)30-14-20(29)24-21-23-13-19(31-21)12-17-6-4-15(2)5-7-17/h4-11,13H,3,12,14H2,1-2H3,(H,23,24,29).
What are the key properties of 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 450.59 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1405224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).