4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide

C12H12ClN3O2S — CID 92699849

IUPAC4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide
SMILESC[C@@H](O)Cc1nsc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-7(17)6-10-14-12(19-16-10)15-11(18)8-2-4-9(13)5-3-8/h2-5,7,17H,6H2,1H3,(H,14,15,16,18)/t7-/m1/s1
InChIKeyPKTGORYWEAXCNZ-SSDOTTSWSA-N
MW297.77 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide

4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 92699849) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID92699849
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide
SMILESC[C@@H](O)Cc1nsc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-7(17)6-10-14-12(19-16-10)15-11(18)8-2-4-9(13)5-3-8/h2-5,7,17H,6H2,1H3,(H,14,15,16,18)/t7-/m1/s1
InChIKeyPKTGORYWEAXCNZ-SSDOTTSWSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-hydroxypropyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 22423739
4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 51134352
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
CID 82121906
4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 100669326
(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
CID 139041198
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
4-[(4-chlorophenyl)sulfamoyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24647706
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
N-[3-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941225
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide (CID 92699849) is 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide is C[C@@H](O)Cc1nsc(NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is PKTGORYWEAXCNZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7(17)6-10-14-12(19-16-10)15-11(18)8-2-4-9(13)5-3-8/h2-5,7,17H,6H2,1H3,(H,14,15,16,18)/t7-/m1/s1.
What are the key properties of 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide?
4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 297.77 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 92699849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).