2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C20H15FN6O3S2 — CID 3189487

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H15FN6O3S2/c21-13-3-1-12(2-4-13)15-10-31-19(22-15)23-18(28)11-32-20-24-25-26-27(20)14-5-6-16-17(9-14)30-8-7-29-16/h1-6,9-10H,7-8,11H2,(H,22,23,28)
InChIKeyLMUABJKIVOSTBU-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.43
Rot. Bonds6

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3189487) has the molecular formula C20H15FN6O3S2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID3189487
Molecular FormulaC20H15FN6O3S2
Molecular Weight470.51 g/mol
Exact Mass470.06
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H15FN6O3S2/c21-13-3-1-12(2-4-13)15-10-31-19(22-15)23-18(28)11-32-20-24-25-26-27(20)14-5-6-16-17(9-14)30-8-7-29-16/h1-6,9-10H,7-8,11H2,(H,22,23,28)
InChIKeyLMUABJKIVOSTBU-UHFFFAOYSA-N
XLogP3.43
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 644402
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1085106
2-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 3189490
N-(4-(4-Acetamidophenyl)thiazol-2-yl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 4326903
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4536703
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 9551891
4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 51109711
N1-(3,4-dimethoxyphenyl)-N2-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)oxalamide
CID 16028776
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 2542233
N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 3223801
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 3268467
N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-yl}-2-(4-fluorophenyl)acetamide
CID 7597342

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 3189487) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LMUABJKIVOSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O3S2/c21-13-3-1-12(2-4-13)15-10-31-19(22-15)23-18(28)11-32-20-24-25-26-27(20)14-5-6-16-17(9-14)30-8-7-29-16/h1-6,9-10H,7-8,11H2,(H,22,23,28).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 470.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3189487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).