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

C12H13ClN4OS — CID 167908324

IUPAC2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide
SMILESCc1nnc(CNC(C(N)=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN4OS/c1-7-16-17-10(19-7)6-15-11(12(14)18)8-2-4-9(13)5-3-8/h2-5,11,15H,6H2,1H3,(H2,14,18)
InChIKeyHJOKFNWDRUIHBA-UHFFFAOYSA-N
MW296.78 g/mol
LogP1.82
Rot. Bonds5

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

2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide (PubChem CID 167908324) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide
PubChem CID167908324
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide
SMILESCc1nnc(CNC(C(N)=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN4OS/c1-7-16-17-10(19-7)6-15-11(12(14)18)8-2-4-9(13)5-3-8/h2-5,11,15H,6H2,1H3,(H2,14,18)
InChIKeyHJOKFNWDRUIHBA-UHFFFAOYSA-N
XLogP1.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870210
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
(2S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 33475058
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 97333940
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide
CID 95775930
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
CID 166203460
1-(4-methyl-3-nitrophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 75483189

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide (CID 167908324) is 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide is Cc1nnc(CNC(C(N)=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide?
The InChIKey is HJOKFNWDRUIHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-7-16-17-10(19-7)6-15-11(12(14)18)8-2-4-9(13)5-3-8/h2-5,11,15H,6H2,1H3,(H2,14,18).
What are the key properties of 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide?
2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide has a molecular weight of 296.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 167908324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).