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

C12H12ClN3OS — CID 154705509

IUPACN-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(Cl)c1)c1nnc(C)s1
InChIInChI=1S/C12H12ClN3OS/c1-7(17)14-11(12-16-15-8(2)18-12)9-4-3-5-10(13)6-9/h3-6,11H,1-2H3,(H,14,17)
InChIKeyQKCOQDQQHAZJMX-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.73
Rot. Bonds3

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

N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (PubChem CID 154705509) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
PubChem CID154705509
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC NameN-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(Cl)c1)c1nnc(C)s1
InChIInChI=1S/C12H12ClN3OS/c1-7(17)14-11(12-16-15-8(2)18-12)9-4-3-5-10(13)6-9/h3-6,11H,1-2H3,(H,14,17)
InChIKeyQKCOQDQQHAZJMX-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
methyl 5-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]thiophene-2-carboxylate
CID 55804119
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
N-[3-[(R)-(3-chlorophenyl)-[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-methylthiophen-2-yl]benzamide
CID 93064814
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
CID 59201782
2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid
CID 64583466
2-acetamido-3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propanoic acid
CID 81372439

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (CID 154705509) is N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is CC(=O)NC(c1cccc(Cl)c1)c1nnc(C)s1.
What is the InChIKey of N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
The InChIKey is QKCOQDQQHAZJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7(17)14-11(12-16-15-8(2)18-12)9-4-3-5-10(13)6-9/h3-6,11H,1-2H3,(H,14,17).
What are the key properties of N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?
N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide has a molecular weight of 281.77 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 154705509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).