5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

C14H7Cl3N4OS — CID 60576166

IUPAC5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl3N4OS/c15-9-4-2-1-3-8(9)13-20-21-14(23-13)19-12(22)7-5-10(16)11(17)18-6-7/h1-6H,(H,19,21,22)
InChIKeyMRACXNSHRBGJFA-UHFFFAOYSA-N
MW385.66 g/mol
LogP4.81
Rot. Bonds3

About 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 60576166) has the molecular formula C14H7Cl3N4OS and a molecular weight of 385.66 g/mol. Its IUPAC name is 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID60576166
Molecular FormulaC14H7Cl3N4OS
Molecular Weight385.66 g/mol
Exact Mass383.94
IUPAC Name5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl3N4OS/c15-9-4-2-1-3-8(9)13-20-21-14(23-13)19-12(22)7-5-10(16)11(17)18-6-7/h1-6H,(H,19,21,22)
InChIKeyMRACXNSHRBGJFA-UHFFFAOYSA-N
XLogP4.81
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4848107
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 1409785
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 122134190
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 86834917
2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56658048
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 176585431
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60576136
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 16813775

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 60576166) is 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is MRACXNSHRBGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N4OS/c15-9-4-2-1-3-8(9)13-20-21-14(23-13)19-12(22)7-5-10(16)11(17)18-6-7/h1-6H,(H,19,21,22).
What are the key properties of 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 385.66 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 60576166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).