N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide

C17H17N3O2S — CID 1444742

IUPACN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccco1)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C17H17N3O2S/c1-3-10-20(16(21)14-9-6-11-22-14)17-19-18-15(23-17)13-8-5-4-7-12(13)2/h4-9,11H,3,10H2,1-2H3
InChIKeyBKEPCYMTUMANSV-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.16
Rot. Bonds5

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

N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide (PubChem CID 1444742) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide
PubChem CID1444742
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccco1)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C17H17N3O2S/c1-3-10-20(16(21)14-9-6-11-22-14)17-19-18-15(23-17)13-8-5-4-7-12(13)2/h4-9,11H,3,10H2,1-2H3
InChIKeyBKEPCYMTUMANSV-UHFFFAOYSA-N
XLogP4.16
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide
CID 6497494
1-(furan-2-ylcarbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6497496
1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6497506
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 711635
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide?
The IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide (CID 1444742) is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide is CCCN(C(=O)c1ccco1)c1nnc(-c2ccccc2C)s1.
What is the InChIKey of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide?
The InChIKey is BKEPCYMTUMANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-10-20(16(21)14-9-6-11-22-14)17-19-18-15(23-17)13-8-5-4-7-12(13)2/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide?
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 1444742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).