N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide

C19H18FN3O3S — CID 3212617

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FN3O3S/c1-25-12-11-23(18(24)15-5-3-4-6-16(15)26-2)19-22-21-17(27-19)13-7-9-14(20)10-8-13/h3-10H,11-12H2,1-2H3
InChIKeyRSYUOTQSRNLUGH-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.65
Rot. Bonds7

About N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 3212617) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID3212617
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FN3O3S/c1-25-12-11-23(18(24)15-5-3-4-6-16(15)26-2)19-22-21-17(27-19)13-7-9-14(20)10-8-13/h3-10H,11-12H2,1-2H3
InChIKeyRSYUOTQSRNLUGH-UHFFFAOYSA-N
XLogP3.65
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide (CID 3212617) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is RSYUOTQSRNLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-25-12-11-23(18(24)15-5-3-4-6-16(15)26-2)19-22-21-17(27-19)13-7-9-14(20)10-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3212617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).