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

C21H23N3O2S — CID 1444764

IUPAC2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C21H23N3O2S/c1-14(2)13-24(20(25)17-11-7-8-12-18(17)26-4)21-23-22-19(27-21)16-10-6-5-9-15(16)3/h5-12,14H,13H2,1-4H3
InChIKeyBEDKMIMBWSBPCU-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.82
Rot. Bonds6

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

2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide (PubChem CID 1444764) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide
PubChem CID1444764
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C21H23N3O2S/c1-14(2)13-24(20(25)17-11-7-8-12-18(17)26-4)21-23-22-19(27-21)16-10-6-5-9-15(16)3/h5-12,14H,13H2,1-4H3
InChIKeyBEDKMIMBWSBPCU-UHFFFAOYSA-N
XLogP4.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1451728
N-(2-methoxyethyl)-4-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230573
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide
CID 3212617
N-butyl-2-methoxy-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230606
N-butyl-4-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230545
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
CID 1444729
N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1451738
N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1444705
2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide
CID 1444776
N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1451737
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide
CID 1444773
N-(2-methylpropyl)-3-phenyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 1451731

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide (CID 1444764) is 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide is COc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1.
What is the InChIKey of 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide?
The InChIKey is BEDKMIMBWSBPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)13-24(20(25)17-11-7-8-12-18(17)26-4)21-23-22-19(27-21)16-10-6-5-9-15(16)3/h5-12,14H,13H2,1-4H3.
What are the key properties of 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide?
2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1444764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).