2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide

C16H13ClN4O3S — CID 166163292

IUPAC2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1nnc(NC(=O)c2ccccc2-c2cc(Cl)ncc2OC)s1
InChIInChI=1S/C16H13ClN4O3S/c1-23-12-8-18-13(17)7-11(12)9-5-3-4-6-10(9)14(22)19-15-20-21-16(24-2)25-15/h3-8H,1-2H3,(H,19,20,22)
InChIKeyDFRFNJAMKJDCBL-UHFFFAOYSA-N
MW376.83 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide

2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 166163292) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID166163292
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1nnc(NC(=O)c2ccccc2-c2cc(Cl)ncc2OC)s1
InChIInChI=1S/C16H13ClN4O3S/c1-23-12-8-18-13(17)7-11(12)9-5-3-4-6-10(9)14(22)19-15-20-21-16(24-2)25-15/h3-8H,1-2H3,(H,19,20,22)
InChIKeyDFRFNJAMKJDCBL-UHFFFAOYSA-N
XLogP3.52
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 166162842
5-(2-chloro-5-methoxy-4-pyridinyl)-2-cyano-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 166163500
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 166163203
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 163390637
4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162898
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 166163344
4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163152
3-[[5-[[4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]azetidine-1-carboxylic acid
CID 175489351
5-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(5-cyano-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 172610321
4-(2-acetyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163081
4-(2-chloro-5-methoxy-4-pyridinyl)-6-cyclopropyloxy-N-[5-(oxolan-3-yloxy)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 167246087
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[(3R)-3-methyloxolan-3-yl]oxy-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 167246349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide (CID 166163292) is 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide is COc1nnc(NC(=O)c2ccccc2-c2cc(Cl)ncc2OC)s1.
What is the InChIKey of 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DFRFNJAMKJDCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-23-12-8-18-13(17)7-11(12)9-5-3-4-6-10(9)14(22)19-15-20-21-16(24-2)25-15/h3-8H,1-2H3,(H,19,20,22).
What are the key properties of 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide?
2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 376.83 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 166163292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).