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

C20H17ClN6OS — CID 55356519

IUPAC2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(Cn2nnc(-c3ccc(Cl)cc3)n2)cs1
InChIInChI=1S/C20H17ClN6OS/c1-13-4-2-3-5-17(13)23-18(28)10-19-22-16(12-29-19)11-27-25-20(24-26-27)14-6-8-15(21)9-7-14/h2-9,12H,10-11H2,1H3,(H,23,28)
InChIKeyTVSQFBZLOOIJIE-UHFFFAOYSA-N
MW424.92 g/mol
LogP3.99
Rot. Bonds6

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

2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 55356519) has the molecular formula C20H17ClN6OS and a molecular weight of 424.92 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID55356519
Molecular FormulaC20H17ClN6OS
Molecular Weight424.92 g/mol
Exact Mass424.09
IUPAC Name2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(Cn2nnc(-c3ccc(Cl)cc3)n2)cs1
InChIInChI=1S/C20H17ClN6OS/c1-13-4-2-3-5-17(13)23-18(28)10-19-22-16(12-29-19)11-27-25-20(24-26-27)14-6-8-15(21)9-7-14/h2-9,12H,10-11H2,1H3,(H,23,28)
InChIKeyTVSQFBZLOOIJIE-UHFFFAOYSA-N
XLogP3.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528452
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 50750287
N-(2-methylphenyl)-2-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 86976652
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 2649257
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 84603611
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-chloro-2-methylphenoxy)propanoate
CID 42989707
2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 120775121
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 55356519) is 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1nc(Cn2nnc(-c3ccc(Cl)cc3)n2)cs1.
What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is TVSQFBZLOOIJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6OS/c1-13-4-2-3-5-17(13)23-18(28)10-19-22-16(12-29-19)11-27-25-20(24-26-27)14-6-8-15(21)9-7-14/h2-9,12H,10-11H2,1H3,(H,23,28).
What are the key properties of 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 424.92 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 55356519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).