methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate

C17H14N4O4S — CID 19918439

IUPACmethyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1ccccc1Oc1nc(-c2cnccn2)ns1
InChIInChI=1S/C17H14N4O4S/c1-23-10-12(16(22)24-2)11-5-3-4-6-14(11)25-17-20-15(21-26-17)13-9-18-7-8-19-13/h3-10H,1-2H3/b12-10-
InChIKeyUHHRVAMPRGHTBL-BENRWUELSA-N
MW370.39 g/mol
LogP2.95
Rot. Bonds6

About methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate

methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate (PubChem CID 19918439) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate
PubChem CID19918439
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Namemethyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1ccccc1Oc1nc(-c2cnccn2)ns1
InChIInChI=1S/C17H14N4O4S/c1-23-10-12(16(22)24-2)11-5-3-4-6-14(11)25-17-20-15(21-26-17)13-9-18-7-8-19-13/h3-10H,1-2H3/b12-10-
InChIKeyUHHRVAMPRGHTBL-BENRWUELSA-N
XLogP2.95
TPSA96.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]but-2-enoate
CID 67781627
methyl (E)-3-methoxy-2-[2-[(5-nitro-1,3-thiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 14421305
methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
CID 54220011
methyl 3-methoxy-2-[2-[(4-phenoxy-1,3,5-triazin-2-yl)oxy]phenyl]prop-2-enoate
CID 54201537
methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
methyl (E)-3-methoxy-2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 67782160
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 6537969
methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 67784963
methyl 2-[2-[[4-(diethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
CID 5085833
methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54065265

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate (CID 19918439) is methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate is CO/C=C(\C(=O)OC)c1ccccc1Oc1nc(-c2cnccn2)ns1.
What is the InChIKey of methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate?
The InChIKey is UHHRVAMPRGHTBL-BENRWUELSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-23-10-12(16(22)24-2)11-5-3-4-6-14(11)25-17-20-15(21-26-17)13-9-18-7-8-19-13/h3-10H,1-2H3/b12-10-.
What are the key properties of methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate?
methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate has a molecular weight of 370.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxy-2-[2-[(3-pyrazin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate is sourced from PubChem (CID 19918439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).