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

C9H6ClN3O2S — CID 12639723

IUPACN-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1nncs1
InChIInChI=1S/C9H6ClN3O2S/c10-5-1-2-7(14)6(3-5)12-8(15)9-13-11-4-16-9/h1-4,14H,(H,12,15)
InChIKeyYWATUUWFJFIDIU-UHFFFAOYSA-N
MW255.69 g/mol
LogP2.15
Rot. Bonds2

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

N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 12639723) has the molecular formula C9H6ClN3O2S and a molecular weight of 255.69 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID12639723
Molecular FormulaC9H6ClN3O2S
Molecular Weight255.69 g/mol
Exact Mass254.99
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1nncs1
InChIInChI=1S/C9H6ClN3O2S/c10-5-1-2-7(14)6(3-5)12-8(15)9-13-11-4-16-9/h1-4,14H,(H,12,15)
InChIKeyYWATUUWFJFIDIU-UHFFFAOYSA-N
XLogP2.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
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CID 16678665
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 17095605
N-(5-chloro-2-hydroxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2235184
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519080
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
2-amino-N-(5-chloro-2-hydroxyphenyl)pyridine-3-carboxamide
CID 82546413
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 19511215
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
CID 58895575

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 12639723) is N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1nncs1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YWATUUWFJFIDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2S/c10-5-1-2-7(14)6(3-5)12-8(15)9-13-11-4-16-9/h1-4,14H,(H,12,15).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 255.69 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 12639723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).