(2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol

C15H18ClN3O4S — CID 11726721

IUPAC(2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol
SMILESCN(/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H18ClN3O4S/c1-19(17-6-12(21)14(23)13(22)7-20)15-18-11(8-24-15)9-2-4-10(16)5-3-9/h2-6,8,12-14,20-23H,7H2,1H3/b17-6-/t12-,13-,14+/m0/s1
InChIKeyNDSRJIRGZYHWDZ-HOFQKTPDSA-N
MW371.85 g/mol
LogP0.96
Rot. Bonds7

About (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol

(2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol (PubChem CID 11726721) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol
PubChem CID11726721
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name(2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol
SMILESCN(/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H18ClN3O4S/c1-19(17-6-12(21)14(23)13(22)7-20)15-18-11(8-24-15)9-2-4-10(16)5-3-9/h2-6,8,12-14,20-23H,7H2,1H3/b17-6-/t12-,13-,14+/m0/s1
InChIKeyNDSRJIRGZYHWDZ-HOFQKTPDSA-N
XLogP0.96
TPSA109.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
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CID 1175983
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
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4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol
CID 170818652
3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7130225
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N,4-diphenyl-1,3-thiazol-2-amine
CID 45045946
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide
CID 91558416
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol (CID 11726721) is (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol is CN(/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol?
The InChIKey is NDSRJIRGZYHWDZ-HOFQKTPDSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-19(17-6-12(21)14(23)13(22)7-20)15-18-11(8-24-15)9-2-4-10(16)5-3-9/h2-6,8,12-14,20-23H,7H2,1H3/b17-6-/t12-,13-,14+/m0/s1.
What are the key properties of (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol?
(2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol has a molecular weight of 371.85 g/mol, XLogP of 0.96, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5Z)-5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylhydrazinylidene]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 11726721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).