N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide

C18H18N4O3S — CID 655065

IUPACN-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1c(OC)cccc1OC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4O3S/c1-4-22(17(23)15-13(24-2)8-5-9-14(15)25-3)18-21-20-16(26-18)12-7-6-10-19-11-12/h5-11H,4H2,1-3H3
InChIKeyFZKVYHJJWFYWHF-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.28
Rot. Bonds6

About N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide

N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 655065) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID655065
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1c(OC)cccc1OC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4O3S/c1-4-22(17(23)15-13(24-2)8-5-9-14(15)25-3)18-21-20-16(26-18)12-7-6-10-19-11-12/h5-11H,4H2,1-3H3
InChIKeyFZKVYHJJWFYWHF-UHFFFAOYSA-N
XLogP3.28
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 655065) is N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCN(C(=O)c1c(OC)cccc1OC)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FZKVYHJJWFYWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-4-22(17(23)15-13(24-2)8-5-9-14(15)25-3)18-21-20-16(26-18)12-7-6-10-19-11-12/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 370.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 655065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).