N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide

C16H13N3O2S — CID 2576449

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide
SMILESCc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1
InChIInChI=1S/C16H13N3O2S/c1-11-18-19-16(22-11)17-15(20)13-9-5-6-10-14(13)21-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19,20)
InChIKeyNFURAOPBBKZTDP-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.89
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide (PubChem CID 2576449) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide
PubChem CID2576449
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide
SMILESCc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1
InChIInChI=1S/C16H13N3O2S/c1-11-18-19-16(22-11)17-15(20)13-9-5-6-10-14(13)21-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19,20)
InChIKeyNFURAOPBBKZTDP-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide (CID 2576449) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide is Cc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide?
The InChIKey is NFURAOPBBKZTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-11-18-19-16(22-11)17-15(20)13-9-5-6-10-14(13)21-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide has a molecular weight of 311.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide is sourced from PubChem (CID 2576449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).