N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H21N5O2S — CID 51230110

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCCCc1nnc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C18H21N5O2S/c1-3-4-5-16-21-23-18(26-16)19-14(24)10-11-15-20-22-17(25-15)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,19,23,24)
InChIKeyWIKRLOHVPBBDIT-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.81
Rot. Bonds8

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 51230110) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID51230110
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCCCc1nnc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C18H21N5O2S/c1-3-4-5-16-21-23-18(26-16)19-14(24)10-11-15-20-22-17(25-15)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,19,23,24)
InChIKeyWIKRLOHVPBBDIT-UHFFFAOYSA-N
XLogP3.81
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 51230110) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCCCc1nnc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is WIKRLOHVPBBDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-3-4-5-16-21-23-18(26-16)19-14(24)10-11-15-20-22-17(25-15)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,19,23,24).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 371.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 51230110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).