1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C14H17ClN4O2S — CID 71969571

IUPAC1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCCOc2ncccc2Cl)s1
InChIInChI=1S/C14H17ClN4O2S/c1-10-9-19-12(22-10)4-6-17-14(20)18-7-8-21-13-11(15)3-2-5-16-13/h2-3,5,9H,4,6-8H2,1H3,(H2,17,18,20)
InChIKeyZVDICZALBYBIQX-UHFFFAOYSA-N
MW340.84 g/mol
LogP2.42
Rot. Bonds7

About 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71969571) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71969571
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCCOc2ncccc2Cl)s1
InChIInChI=1S/C14H17ClN4O2S/c1-10-9-19-12(22-10)4-6-17-14(20)18-7-8-21-13-11(15)3-2-5-16-13/h2-3,5,9H,4,6-8H2,1H3,(H2,17,18,20)
InChIKeyZVDICZALBYBIQX-UHFFFAOYSA-N
XLogP2.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71969571) is 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)NCCOc2ncccc2Cl)s1.
What is the InChIKey of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is ZVDICZALBYBIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-10-9-19-12(22-10)4-6-17-14(20)18-7-8-21-13-11(15)3-2-5-16-13/h2-3,5,9H,4,6-8H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 340.84 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71969571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).