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

C22H22N6O2S2 — CID 33093562

IUPACN-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-n1nnnc1SCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H22N6O2S2/c1-14-9-10-18(11-15(14)2)27(16(3)29)21-23-17(12-31-21)13-32-22-24-25-26-28(22)19-7-5-6-8-20(19)30-4/h5-12H,13H2,1-4H3
InChIKeyCLHHULXVKRUPQV-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.72
Rot. Bonds7

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

N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 33093562) has the molecular formula C22H22N6O2S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID33093562
Molecular FormulaC22H22N6O2S2
Molecular Weight466.59 g/mol
Exact Mass466.12
IUPAC NameN-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-n1nnnc1SCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H22N6O2S2/c1-14-9-10-18(11-15(14)2)27(16(3)29)21-23-17(12-31-21)13-32-22-24-25-26-28(22)19-7-5-6-8-20(19)30-4/h5-12H,13H2,1-4H3
InChIKeyCLHHULXVKRUPQV-UHFFFAOYSA-N
XLogP4.72
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-ethylphenyl)-N-[4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16508654
4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 16554841
N-[4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825410
N-(3,4-dimethylphenyl)-N-[4-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 78759435
N-(3,4-dimethylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4828286
N-(3,4-dimethylphenyl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4858914
N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 41425378
N-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4858943
2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 27159911
N-(3,4-dimethylphenyl)-N-[4-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4859048
N-[4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 41231141
N-(3,4-dimethylphenyl)-N-[4-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112784383

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 33093562) is N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is COc1ccccc1-n1nnnc1SCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CLHHULXVKRUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S2/c1-14-9-10-18(11-15(14)2)27(16(3)29)21-23-17(12-31-21)13-32-22-24-25-26-28(22)19-7-5-6-8-20(19)30-4/h5-12H,13H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 466.59 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 33093562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).