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

C18H17N5O3S — CID 1075852

IUPAC2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESCOc1cccc(NC(=O)Nc2nnc(CC(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C18H17N5O3S/c1-26-14-9-5-8-13(10-14)20-17(25)21-18-23-22-16(27-18)11-15(24)19-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,24)(H2,20,21,23,25)
InChIKeyYZGMDVLEECENNM-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.37
Rot. Bonds6

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

2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (PubChem CID 1075852) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
PubChem CID1075852
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESCOc1cccc(NC(=O)Nc2nnc(CC(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C18H17N5O3S/c1-26-14-9-5-8-13(10-14)20-17(25)21-18-23-22-16(27-18)11-15(24)19-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,24)(H2,20,21,23,25)
InChIKeyYZGMDVLEECENNM-UHFFFAOYSA-N
XLogP3.37
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N'-(4-methoxyphenyl)urea
CID 3238317
1-(4-Methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 4622855
N-(4-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 4622858
1-(4-Methoxyphenyl)-3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 659530
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
1-(4-Ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 881180
1-[5-(4-Methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1075777
1-[5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1075793
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(4-methoxyphenyl)butanediamide
CID 1402367
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 1452080
1-(3-Methoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea
CID 3457780
N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(3-methoxyphenyl)urea
CID 4295383

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (CID 1075852) is 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is COc1cccc(NC(=O)Nc2nnc(CC(=O)Nc3ccccc3)s2)c1.
What is the InChIKey of 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The InChIKey is YZGMDVLEECENNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-26-14-9-5-8-13(10-14)20-17(25)21-18-23-22-16(27-18)11-15(24)19-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,24)(H2,20,21,23,25).
What are the key properties of 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide has a molecular weight of 383.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 1075852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).