1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one

C17H19N7O2S — CID 121382162

IUPAC1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1ccn(C2=NCC(C)S2)n1
InChIInChI=1S/C17H19N7O2S/c1-11-5-4-6-14(24-17(25)22(3)20-21-24)13(11)10-26-15-7-8-23(19-15)16-18-9-12(2)27-16/h4-8,12H,9-10H2,1-3H3
InChIKeyUAJGLJZGQLUMKB-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.39
Rot. Bonds4

About 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one

1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one (PubChem CID 121382162) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one
PubChem CID121382162
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one
SMILESCc1cccc(-n2nnn(C)c2=O)c1COc1ccn(C2=NCC(C)S2)n1
InChIInChI=1S/C17H19N7O2S/c1-11-5-4-6-14(24-17(25)22(3)20-21-24)13(11)10-26-15-7-8-23(19-15)16-18-9-12(2)27-16/h4-8,12H,9-10H2,1-3H3
InChIKeyUAJGLJZGQLUMKB-UHFFFAOYSA-N
XLogP1.39
TPSA92.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one (CID 121382162) is 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one is Cc1cccc(-n2nnn(C)c2=O)c1COc1ccn(C2=NCC(C)S2)n1.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one?
The InChIKey is UAJGLJZGQLUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c1-11-5-4-6-14(24-17(25)22(3)20-21-24)13(11)10-26-15-7-8-23(19-15)16-18-9-12(2)27-16/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one?
1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one has a molecular weight of 385.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-2-[[1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 121382162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).