N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide

C16H15N3O4S — CID 24792690

IUPACN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)c3ccco3)s2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-19(15(20)12-5-4-8-23-12)16-18-17-14(24-16)10-6-7-11(21-2)13(9-10)22-3/h4-9H,1-3H3
InChIKeyNAJJHGKOWJPHKD-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.09
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide

N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide (PubChem CID 24792690) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide
PubChem CID24792690
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)c3ccco3)s2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-19(15(20)12-5-4-8-23-12)16-18-17-14(24-16)10-6-7-11(21-2)13(9-10)22-3/h4-9H,1-3H3
InChIKeyNAJJHGKOWJPHKD-UHFFFAOYSA-N
XLogP3.09
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide (CID 24792690) is N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide is COc1ccc(-c2nnc(N(C)C(=O)c3ccco3)s2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide?
The InChIKey is NAJJHGKOWJPHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-19(15(20)12-5-4-8-23-12)16-18-17-14(24-16)10-6-7-11(21-2)13(9-10)22-3/h4-9H,1-3H3.
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide?
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 24792690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).