1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol

C18H20N6O2S2 — CID 161051248

IUPAC1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(C)(O)c2nnc(Cc3ccn(Cc4c(C)noc4C)n3)s2)n1
InChIInChI=1S/C18H20N6O2S2/c1-10-9-27-16(19-10)18(4,25)17-21-20-15(28-17)7-13-5-6-24(22-13)8-14-11(2)23-26-12(14)3/h5-6,9,25H,7-8H2,1-4H3
InChIKeyUCDZTBQHHJGARU-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.00
Rot. Bonds6

About 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol

1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 161051248) has the molecular formula C18H20N6O2S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID161051248
Molecular FormulaC18H20N6O2S2
Molecular Weight416.53 g/mol
Exact Mass416.11
IUPAC Name1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(C)(O)c2nnc(Cc3ccn(Cc4c(C)noc4C)n3)s2)n1
InChIInChI=1S/C18H20N6O2S2/c1-10-9-27-16(19-10)18(4,25)17-21-20-15(28-17)7-13-5-6-24(22-13)8-14-11(2)23-26-12(14)3/h5-6,9,25H,7-8H2,1-4H3
InChIKeyUCDZTBQHHJGARU-UHFFFAOYSA-N
XLogP3.00
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 161051248) is 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(C(C)(O)c2nnc(Cc3ccn(Cc4c(C)noc4C)n3)s2)n1.
What is the InChIKey of 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is UCDZTBQHHJGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S2/c1-10-9-27-16(19-10)18(4,25)17-21-20-15(28-17)7-13-5-6-24(22-13)8-14-11(2)23-26-12(14)3/h5-6,9,25H,7-8H2,1-4H3.
What are the key properties of 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 416.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 161051248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).