N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide

C15H17N3O3S — CID 2576582

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H17N3O3S/c1-9-3-6-11(12(7-9)20-2)21-8-13(19)16-15-18-17-14(22-15)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,16,18,19)
InChIKeyCTCMJIXUOGILOB-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.75
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 2576582) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID2576582
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H17N3O3S/c1-9-3-6-11(12(7-9)20-2)21-8-13(19)16-15-18-17-14(22-15)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,16,18,19)
InChIKeyCTCMJIXUOGILOB-UHFFFAOYSA-N
XLogP2.75
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide (CID 2576582) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is CTCMJIXUOGILOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-3-6-11(12(7-9)20-2)21-8-13(19)16-15-18-17-14(22-15)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,16,18,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 319.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 2576582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).