(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide

C18H15ClN4O4S — CID 139078628

IUPAC(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H15ClN4O4S/c19-11-6-8-12(9-7-11)20-15(26)13(24)14(25)16(27)21-18-23-22-17(28-18)10-4-2-1-3-5-10/h1-9,13-14,24-25H,(H,20,26)(H,21,23,27)/t13-,14-/m1/s1
InChIKeyJCJUDJMFSJBYDS-ZIAGYGMSSA-N
MW418.86 g/mol
LogP2.16
Rot. Bonds6

About (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide

(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 139078628) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID139078628
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC Name(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H15ClN4O4S/c19-11-6-8-12(9-7-11)20-15(26)13(24)14(25)16(27)21-18-23-22-17(28-18)10-4-2-1-3-5-10/h1-9,13-14,24-25H,(H,20,26)(H,21,23,27)/t13-,14-/m1/s1
InChIKeyJCJUDJMFSJBYDS-ZIAGYGMSSA-N
XLogP2.16
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[(4-bromophenyl)carbamoylamino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 98430112
2-[(4-chlorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3562395
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(dimethylcarbamoylamino)-3-phenylpropanamide
CID 42662179
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 42662158
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
1-(4-chlorophenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874844
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 42757519
2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 93099916
N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 139078628) is (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide is O=C(Nc1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is JCJUDJMFSJBYDS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c19-11-6-8-12(9-7-11)20-15(26)13(24)14(25)16(27)21-18-23-22-17(28-18)10-4-2-1-3-5-10/h1-9,13-14,24-25H,(H,20,26)(H,21,23,27)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide?
(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 418.86 g/mol, XLogP of 2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 139078628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).