1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C14H16ClN3O2S — CID 155525929

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C14H16ClN3O2S/c1-9-7-11(3-4-12(9)15)20-6-5-16-13(19)18-14-17-8-10(2)21-14/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyJNLASYKKHWVUGT-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 155525929) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID155525929
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C14H16ClN3O2S/c1-9-7-11(3-4-12(9)15)20-6-5-16-13(19)18-14-17-8-10(2)21-14/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyJNLASYKKHWVUGT-UHFFFAOYSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 2673126
CID 2673126
CID 162669009
CID 162669009
CID 162674087
CID 162674087
CID 2673049
CID 2673049
CID 8919483
CID 8919483
CID 145420135
CID 145420135
CID 145420136
CID 145420136
CID 145420166
CID 145420166
CID 145420176
CID 145420176
CID 3124798
CID 3124798
CID 155513932
CID 155513932
CID 155542993
CID 155542993

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 155525929) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NCCOc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is JNLASYKKHWVUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-7-11(3-4-12(9)15)20-6-5-16-13(19)18-14-17-8-10(2)21-14/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 325.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 155525929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).