4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide

C15H19N5O3S — CID 74233553

IUPAC4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)NCCc2nnc(C)s2)c1
InChIInChI=1S/C15H19N5O3S/c1-9-19-20-13(24-9)6-7-17-15(22)18-11-8-10(14(21)16-2)4-5-12(11)23-3/h4-5,8H,6-7H2,1-3H3,(H,16,21)(H2,17,18,22)
InChIKeyXHTUHSBJVZKUEO-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.58
Rot. Bonds6

About 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide

4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide (PubChem CID 74233553) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide
PubChem CID74233553
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)NCCc2nnc(C)s2)c1
InChIInChI=1S/C15H19N5O3S/c1-9-19-20-13(24-9)6-7-17-15(22)18-11-8-10(14(21)16-2)4-5-12(11)23-3/h4-5,8H,6-7H2,1-3H3,(H,16,21)(H2,17,18,22)
InChIKeyXHTUHSBJVZKUEO-UHFFFAOYSA-N
XLogP1.58
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
CID 78892807
3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 91831542
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118769080
4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
4-methoxy-3-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 63742611
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 72856962

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide (CID 74233553) is 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide is CNC(=O)c1ccc(OC)c(NC(=O)NCCc2nnc(C)s2)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide?
The InChIKey is XHTUHSBJVZKUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-9-19-20-13(24-9)6-7-17-15(22)18-11-8-10(14(21)16-2)4-5-12(11)23-3/h4-5,8H,6-7H2,1-3H3,(H,16,21)(H2,17,18,22).
What are the key properties of 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide?
4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide has a molecular weight of 349.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide is sourced from PubChem (CID 74233553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).