4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide

C18H15N5OS — CID 17027405

IUPAC4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1
InChIInChI=1S/C18H15N5OS/c1-12-2-6-14(7-3-12)16(24)19-10-13-4-8-15(9-5-13)17-22-23-11-20-21-18(23)25-17/h2-9,11H,10H2,1H3,(H,19,24)
InChIKeyLDUXHYCDWGWZHK-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide

4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide (PubChem CID 17027405) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
PubChem CID17027405
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1
InChIInChI=1S/C18H15N5OS/c1-12-2-6-14(7-3-12)16(24)19-10-13-4-8-15(9-5-13)17-22-23-11-20-21-18(23)25-17/h2-9,11H,10H2,1H3,(H,19,24)
InChIKeyLDUXHYCDWGWZHK-UHFFFAOYSA-N
XLogP3.09
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 25247144
2-chloro-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 50810862
5-(3-chloro-4-methylphenyl)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]furan-2-carboxamide
CID 50811081
4-bromo-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 25247064
N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]-4-phenylbenzamide
CID 50810865
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 25239328
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-ethoxy-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 25247073
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
CID 17027422
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide (CID 17027405) is 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide?
The InChIKey is LDUXHYCDWGWZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-2-6-14(7-3-12)16(24)19-10-13-4-8-15(9-5-13)17-22-23-11-20-21-18(23)25-17/h2-9,11H,10H2,1H3,(H,19,24).
What are the key properties of 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide?
4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide has a molecular weight of 349.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 17027405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).