(4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate

C16H15ClNO4PS — CID 56990706

IUPAC(4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
SMILESO=P(O)(Oc1ccc(Cl)cc1)Oc1cccc(CN2C=CSC2)c1
InChIInChI=1S/C16H15ClNO4PS/c17-14-4-6-15(7-5-14)21-23(19,20)22-16-3-1-2-13(10-16)11-18-8-9-24-12-18/h1-10H,11-12H2,(H,19,20)
InChIKeyNVVZSQPNFCZIFH-UHFFFAOYSA-N
MW383.79 g/mol
LogP4.88
Rot. Bonds6

About (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate

(4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate (PubChem CID 56990706) has the molecular formula C16H15ClNO4PS and a molecular weight of 383.79 g/mol. Its IUPAC name is (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate.

Molecular Properties

Compound Name(4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
PubChem CID56990706
Molecular FormulaC16H15ClNO4PS
Molecular Weight383.79 g/mol
Exact Mass383.01
IUPAC Name(4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
SMILESO=P(O)(Oc1ccc(Cl)cc1)Oc1cccc(CN2C=CSC2)c1
InChIInChI=1S/C16H15ClNO4PS/c17-14-4-6-15(7-5-14)21-23(19,20)22-16-3-1-2-13(10-16)11-18-8-9-24-12-18/h1-10H,11-12H2,(H,19,20)
InChIKeyNVVZSQPNFCZIFH-UHFFFAOYSA-N
XLogP4.88
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-dodecoxynaphthalen-2-yl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
CID 57136777
(3-dodecoxynaphthalen-2-yl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
CID 57025870
[3-(3-dodecoxy-2-methylphenoxy)-2-propoxypropyl] [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
CID 57171179
[3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [4-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate
CID 57078560
N-(3-tetradecoxyphenyl)-3-(2H-1,3-thiazol-3-ylmethyl)benzamide;hydrobromide
CID 173343268
2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57244962
2-(4-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 173343195
2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57315785
2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
CID 173342567
N-(3-chloro-2-tetradecoxyphenyl)-3-(2H-1,3-thiazol-3-ylmethyl)benzamide;hydrobromide
CID 173342645
[4-[2-[(4-chlorophenyl)methyl]-3-oxo-3-phenylpropyl]phenyl] phenyl hydrogen phosphate
CID 70605204
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate?
The IUPAC name of (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate (CID 56990706) is (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate.
What is the SMILES notation for (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate?
The canonical SMILES for (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate is O=P(O)(Oc1ccc(Cl)cc1)Oc1cccc(CN2C=CSC2)c1.
What is the InChIKey of (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate?
The InChIKey is NVVZSQPNFCZIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClNO4PS/c17-14-4-6-15(7-5-14)21-23(19,20)22-16-3-1-2-13(10-16)11-18-8-9-24-12-18/h1-10H,11-12H2,(H,19,20).
What are the key properties of (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate?
(4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate has a molecular weight of 383.79 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate is sourced from PubChem (CID 56990706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).