5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide

C12H7Cl2N5OS — CID 80617639

IUPAC5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)c1nnc(Cl)s1
InChIInChI=1S/C12H7Cl2N5OS/c13-7-3-1-4-8(9(7)19-6-2-5-15-19)16-10(20)11-17-18-12(14)21-11/h1-6H,(H,16,20)
InChIKeySQBZZEPUJHJYDE-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617639) has the molecular formula C12H7Cl2N5OS and a molecular weight of 340.20 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617639
Molecular FormulaC12H7Cl2N5OS
Molecular Weight340.20 g/mol
Exact Mass338.97
IUPAC Name5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)c1nnc(Cl)s1
InChIInChI=1S/C12H7Cl2N5OS/c13-7-3-1-4-8(9(7)19-6-2-5-15-19)16-10(20)11-17-18-12(14)21-11/h1-6H,(H,16,20)
InChIKeySQBZZEPUJHJYDE-UHFFFAOYSA-N
XLogP3.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617639) is 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1cccc(Cl)c1-n1cccn1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SQBZZEPUJHJYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5OS/c13-7-3-1-4-8(9(7)19-6-2-5-15-19)16-10(20)11-17-18-12(14)21-11/h1-6H,(H,16,20).
What are the key properties of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 340.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).