1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea

C14H14ClN3O3S — CID 23764062

IUPAC1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1csc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O3S/c15-9-1-3-10(4-2-9)21-14-17-12(7-22-14)11-5-8(11)6-18(20)13(16)19/h1-4,7-8,11,20H,5-6H2,(H2,16,19)
InChIKeyOLPLQXQGOCINJL-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.46
Rot. Bonds5

About 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea

1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea (PubChem CID 23764062) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea
PubChem CID23764062
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1csc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O3S/c15-9-1-3-10(4-2-9)21-14-17-12(7-22-14)11-5-8(11)6-18(20)13(16)19/h1-4,7-8,11,20H,5-6H2,(H2,16,19)
InChIKeyOLPLQXQGOCINJL-UHFFFAOYSA-N
XLogP3.46
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea (CID 23764062) is 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea is NC(=O)N(O)CC1CC1c1csc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea?
The InChIKey is OLPLQXQGOCINJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-9-1-3-10(4-2-9)21-14-17-12(7-22-14)11-5-8(11)6-18(20)13(16)19/h1-4,7-8,11,20H,5-6H2,(H2,16,19).
What are the key properties of 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea?
1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea has a molecular weight of 339.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(4-chlorophenoxy)-1,3-thiazol-4-yl]cyclopropyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 23764062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).