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

C18H16ClN5O3S — CID 2895875

IUPAC2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C18H16ClN5O3S/c1-27-14-8-6-12(7-9-14)20-15(25)10-16-23-24-18(28-16)22-17(26)21-13-4-2-11(19)3-5-13/h2-9H,10H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyXPNZNYOJDYARQR-UHFFFAOYSA-N
MW417.88 g/mol
LogP4.03
Rot. Bonds6

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

2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2895875) has the molecular formula C18H16ClN5O3S and a molecular weight of 417.88 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID2895875
Molecular FormulaC18H16ClN5O3S
Molecular Weight417.88 g/mol
Exact Mass417.07
IUPAC Name2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C18H16ClN5O3S/c1-27-14-8-6-12(7-9-14)20-15(25)10-16-23-24-18(28-16)22-17(26)21-13-4-2-11(19)3-5-13/h2-9H,10H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyXPNZNYOJDYARQR-UHFFFAOYSA-N
XLogP4.03
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)acetamide
CID 6487525
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2278160
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1420599
1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1335305
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
1-(4-chlorophenyl)-3-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1421121
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
2-[5-[(1S)-1-[(4-chlorophenyl)carbamoylamino]-2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]acetic acid
CID 135238910
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1335326

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 2895875) is 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XPNZNYOJDYARQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3S/c1-27-14-8-6-12(7-9-14)20-15(25)10-16-23-24-18(28-16)22-17(26)21-13-4-2-11(19)3-5-13/h2-9H,10H2,1H3,(H,20,25)(H2,21,22,24,26).
What are the key properties of 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 417.88 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2895875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).