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

C19H19N5O3S — CID 1075855

IUPACN-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nnc(CC(=O)NCc2ccccc2)s1
InChIInChI=1S/C19H19N5O3S/c1-27-15-10-6-5-9-14(15)21-18(26)22-19-24-23-17(28-19)11-16(25)20-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyMIYVRYSKMBOAHY-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.05
Rot. Bonds7

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

N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1075855) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1075855
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nnc(CC(=O)NCc2ccccc2)s1
InChIInChI=1S/C19H19N5O3S/c1-27-15-10-6-5-9-14(15)21-18(26)22-19-24-23-17(28-19)11-16(25)20-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyMIYVRYSKMBOAHY-UHFFFAOYSA-N
XLogP3.05
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1075751
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1385139
1-(2-methoxyphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075779
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1075856
1-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 50825387
1-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2895646
1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 22509881
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1335345
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 847029
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide (CID 1075855) is N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide is COc1ccccc1NC(=O)Nc1nnc(CC(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MIYVRYSKMBOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-27-15-10-6-5-9-14(15)21-18(26)22-19-24-23-17(28-19)11-16(25)20-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,25)(H2,21,22,24,26).
What are the key properties of N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide?
N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1075855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).