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

C17H18N6O2S2 — CID 149133159

IUPAC1-[5-[[1-[(5-methyl-1,2-oxazol-3-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(Cc4cc(C)on4)n3)s2)n1
InChIInChI=1S/C17H18N6O2S2/c1-10-9-26-15(18-10)17(3,24)16-20-19-14(27-16)7-12-4-5-23(21-12)8-13-6-11(2)25-22-13/h4-6,9,24H,7-8H2,1-3H3
InChIKeyRDLMRAGEUMOXAJ-UHFFFAOYSA-N
MW402.51 g/mol
LogP2.69
Rot. Bonds6

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

1-[5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 149133159) has the molecular formula C17H18N6O2S2 and a molecular weight of 402.51 g/mol. Its IUPAC name is 1-[5-[[1-[(5-methyl-1,2-oxazol-3-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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID149133159
Molecular FormulaC17H18N6O2S2
Molecular Weight402.51 g/mol
Exact Mass402.09
IUPAC Name1-[5-[[1-[(5-methyl-1,2-oxazol-3-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(Cc4cc(C)on4)n3)s2)n1
InChIInChI=1S/C17H18N6O2S2/c1-10-9-26-15(18-10)17(3,24)16-20-19-14(27-16)7-12-4-5-23(21-12)8-13-6-11(2)25-22-13/h4-6,9,24H,7-8H2,1-3H3
InChIKeyRDLMRAGEUMOXAJ-UHFFFAOYSA-N
XLogP2.69
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[(5-methyl-1,2-oxazol-3-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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 149133159) is 1-[5-[[1-[(5-methyl-1,2-oxazol-3-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-[(5-methyl-1,2-oxazol-3-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-[(5-methyl-1,2-oxazol-3-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(Cc4cc(C)on4)n3)s2)n1.
What is the InChIKey of 1-[5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is RDLMRAGEUMOXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S2/c1-10-9-26-15(18-10)17(3,24)16-20-19-14(27-16)7-12-4-5-23(21-12)8-13-6-11(2)25-22-13/h4-6,9,24H,7-8H2,1-3H3.
What are the key properties of 1-[5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
1-[5-[[1-[(5-methyl-1,2-oxazol-3-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 402.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[(5-methyl-1,2-oxazol-3-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 149133159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).