2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide

C18H15Cl2N5O2S — CID 2278160

IUPAC2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1
InChIInChI=1S/C18H15Cl2N5O2S/c1-10-2-5-12(6-3-10)21-15(26)9-16-24-25-18(28-16)23-17(27)22-14-7-4-11(19)8-13(14)20/h2-8H,9H2,1H3,(H,21,26)(H2,22,23,25,27)
InChIKeySBIHVEWUWRRAGN-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.98
Rot. Bonds5

About 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide

2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 2278160) has the molecular formula C18H15Cl2N5O2S and a molecular weight of 436.32 g/mol. Its IUPAC name is 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID2278160
Molecular FormulaC18H15Cl2N5O2S
Molecular Weight436.32 g/mol
Exact Mass435.03
IUPAC Name2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1
InChIInChI=1S/C18H15Cl2N5O2S/c1-10-2-5-12(6-3-10)21-15(26)9-16-24-25-18(28-16)23-17(27)22-14-7-4-11(19)8-13(14)20/h2-8H,9H2,1H3,(H,21,26)(H2,22,23,25,27)
InChIKeySBIHVEWUWRRAGN-UHFFFAOYSA-N
XLogP4.98
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenyl)-3-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1335509
2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2895875
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
1-(2,4-dichlorophenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 881026
2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1335326
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729343
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2,4-dichlorophenyl)-3-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1417574
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
1-[5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
CID 2278464
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 2278160) is 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1.
What is the InChIKey of 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is SBIHVEWUWRRAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2S/c1-10-2-5-12(6-3-10)21-15(26)9-16-24-25-18(28-16)23-17(27)22-14-7-4-11(19)8-13(14)20/h2-8H,9H2,1H3,(H,21,26)(H2,22,23,25,27).
What are the key properties of 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 436.32 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2278160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).