5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

C9H6ClN3OS — CID 68801294

IUPAC5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C9H6ClN3OS/c10-6-3-1-2-5(4-6)8-12-13-9(15-8)7(11)14/h1-4H,(H2,11,14)
InChIKeyHVFTUIRDWXNPJM-UHFFFAOYSA-N
MW239.69 g/mol
LogP1.96
Rot. Bonds2

About 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 68801294) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID68801294
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C9H6ClN3OS/c10-6-3-1-2-5(4-6)8-12-13-9(15-8)7(11)14/h1-4H,(H2,11,14)
InChIKeyHVFTUIRDWXNPJM-UHFFFAOYSA-N
XLogP1.96
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 154810072
2-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140336
[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519
3-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 23007059
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119745185
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-chlorobenzamide
CID 5050273
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 68801294) is 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide is NC(=O)c1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HVFTUIRDWXNPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-6-3-1-2-5(4-6)8-12-13-9(15-8)7(11)14/h1-4H,(H2,11,14).
What are the key properties of 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 239.69 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 68801294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).