(2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol

C16H24N2O4S — CID 51420708

IUPAC(2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol
SMILESCc1ccc(C2=NN[C@@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1
InChIInChI=1S/C16H24N2O4S/c1-10-5-7-11(8-6-10)12-17-18-13(23-12)15(3,21)16(4,22)14(2,20)9-19/h5-8,13,18-22H,9H2,1-4H3/t13-,14-,15+,16-/m1/s1
InChIKeyUJFQBJKCAWXHKU-LVQVYYBASA-N
MW340.45 g/mol
LogP0.56
Rot. Bonds5

About (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol

(2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol (PubChem CID 51420708) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol
PubChem CID51420708
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol
SMILESCc1ccc(C2=NN[C@@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1
InChIInChI=1S/C16H24N2O4S/c1-10-5-7-11(8-6-10)12-17-18-13(23-12)15(3,21)16(4,22)14(2,20)9-19/h5-8,13,18-22H,9H2,1-4H3/t13-,14-,15+,16-/m1/s1
InChIKeyUJFQBJKCAWXHKU-LVQVYYBASA-N
XLogP0.56
TPSA105.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871209
(1S,2R,3R)-1-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]butane-1,2,3,4-tetrol
CID 7272189
N,N-dimethyl-4-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]aniline
CID 7083907
(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 7305321
(1S,2R,3R,4R)-1-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol
CID 7272191
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 177150460
5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole
CID 4056541
2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871317
2-(ethylamino)-2-(4-methylphenyl)propan-1-ol
CID 61048119
3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol
CID 2717876
(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
CID 40650711
3-(4-tert-butylphenyl)-6,7-bis(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol (CID 51420708) is (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol is Cc1ccc(C2=NN[C@@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1.
What is the InChIKey of (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol?
The InChIKey is UJFQBJKCAWXHKU-LVQVYYBASA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-10-5-7-11(8-6-10)12-17-18-13(23-12)15(3,21)16(4,22)14(2,20)9-19/h5-8,13,18-22H,9H2,1-4H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol?
(2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol has a molecular weight of 340.45 g/mol, XLogP of 0.56, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 51420708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).