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

C15H20N4OS — CID 65271751

IUPACN-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2nc(C(C)C)ns2)c1
InChIInChI=1S/C15H20N4OS/c1-9(2)14-18-15(21-19-14)16-10(3)12-6-5-7-13(8-12)17-11(4)20/h5-10H,1-4H3,(H,17,20)(H,16,18,19)
InChIKeyGGJXESWMFFQOQG-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.79
Rot. Bonds5

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

N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide (PubChem CID 65271751) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide
PubChem CID65271751
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2nc(C(C)C)ns2)c1
InChIInChI=1S/C15H20N4OS/c1-9(2)14-18-15(21-19-14)16-10(3)12-6-5-7-13(8-12)17-11(4)20/h5-10H,1-4H3,(H,17,20)(H,16,18,19)
InChIKeyGGJXESWMFFQOQG-UHFFFAOYSA-N
XLogP3.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 83152765
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 65209214
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
CID 63208430
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide
CID 66275396
N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 115937822
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
CID 43124690
N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
CID 61234394
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide (CID 65271751) is N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)Nc2nc(C(C)C)ns2)c1.
What is the InChIKey of N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is GGJXESWMFFQOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)14-18-15(21-19-14)16-10(3)12-6-5-7-13(8-12)17-11(4)20/h5-10H,1-4H3,(H,17,20)(H,16,18,19).
What are the key properties of N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 65271751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).