3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

C18H18N4O3S — CID 650936

IUPAC3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H18N4O3S/c1-24-11-10-22(17(23)14-4-3-5-15(12-14)25-2)18-21-20-16(26-18)13-6-8-19-9-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyNFRDEODLMLEDLQ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.90
Rot. Bonds7

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

3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 650936) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID650936
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H18N4O3S/c1-24-11-10-22(17(23)14-4-3-5-15(12-14)25-2)18-21-20-16(26-18)13-6-8-19-9-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyNFRDEODLMLEDLQ-UHFFFAOYSA-N
XLogP2.90
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 860547
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
3-[5-(3-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-pyridine
CID 647696
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 653096
N-Ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 655065
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
N-Ethyl-2-(2-methoxy-phenyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451796
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3212762
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3212800
N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3212809
N-Allyl-2-phenoxy-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1076248

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 650936) is 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is COCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NFRDEODLMLEDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-11-10-22(17(23)14-4-3-5-15(12-14)25-2)18-21-20-16(26-18)13-6-8-19-9-7-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 370.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 650936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).