1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea

C18H16ClN3O3S — CID 10691773

IUPAC1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H16ClN3O3S/c19-14-5-3-13(4-6-14)17-21-15(11-26-17)10-25-16-7-1-12(2-8-16)9-22(24)18(20)23/h1-8,11,24H,9-10H2,(H2,20,23)
InChIKeySHOVPBKJGIBJBB-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.31
Rot. Bonds6

About 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea

1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea (PubChem CID 10691773) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea
PubChem CID10691773
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H16ClN3O3S/c19-14-5-3-13(4-6-14)17-21-15(11-26-17)10-25-16-7-1-12(2-8-16)9-22(24)18(20)23/h1-8,11,24H,9-10H2,(H2,20,23)
InChIKeySHOVPBKJGIBJBB-UHFFFAOYSA-N
XLogP4.31
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea (CID 10691773) is 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea is NC(=O)N(O)Cc1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
The InChIKey is SHOVPBKJGIBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-14-5-3-13(4-6-14)17-21-15(11-26-17)10-25-16-7-1-12(2-8-16)9-22(24)18(20)23/h1-8,11,24H,9-10H2,(H2,20,23).
What are the key properties of 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea has a molecular weight of 389.86 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 10691773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).