N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide

C13H16N4OS — CID 65209214

IUPACN-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2nnc(C)s2)c1
InChIInChI=1S/C13H16N4OS/c1-8(14-13-17-16-10(3)19-13)11-5-4-6-12(7-11)15-9(2)18/h4-8H,1-3H3,(H,14,17)(H,15,18)
InChIKeyVMGGEHQUIDFRJC-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.98
Rot. Bonds4

About N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide (PubChem CID 65209214) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
PubChem CID65209214
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2nnc(C)s2)c1
InChIInChI=1S/C13H16N4OS/c1-8(14-13-17-16-10(3)19-13)11-5-4-6-12(7-11)15-9(2)18/h4-8H,1-3H3,(H,14,17)(H,15,18)
InChIKeyVMGGEHQUIDFRJC-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide
CID 65271751
N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 83152765
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
CID 107648295
N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
CID 63208430
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18912290
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
CID 43124690

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide (CID 65209214) is N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)Nc2nnc(C)s2)c1.
What is the InChIKey of N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is VMGGEHQUIDFRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8(14-13-17-16-10(3)19-13)11-5-4-6-12(7-11)15-9(2)18/h4-8H,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 276.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 65209214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).