1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C15H18ClN3O3S — CID 86851215

IUPAC1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOCCOc1c(Cl)cccc1NC(=O)NCc1cnc(C)s1
InChIInChI=1S/C15H18ClN3O3S/c1-10-17-8-11(23-10)9-18-15(20)19-13-5-3-4-12(16)14(13)22-7-6-21-2/h3-5,8H,6-7,9H2,1-2H3,(H2,18,19,20)
InChIKeyOFRMDQFTSDDVBA-UHFFFAOYSA-N
MW355.85 g/mol
LogP3.45
Rot. Bonds7

About 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86851215) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86851215
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOCCOc1c(Cl)cccc1NC(=O)NCc1cnc(C)s1
InChIInChI=1S/C15H18ClN3O3S/c1-10-17-8-11(23-10)9-18-15(20)19-13-5-3-4-12(16)14(13)22-7-6-21-2/h3-5,8H,6-7,9H2,1-2H3,(H2,18,19,20)
InChIKeyOFRMDQFTSDDVBA-UHFFFAOYSA-N
XLogP3.45
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 53.45
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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Related Compounds

1-[2-[(3-Chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71969571
1-[2-(2,2-Difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71849483
3-(3,5-Dichloro-4-methoxyphenyl)-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 71982833
1-(3-chloro-2-methoxyphenyl)-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97566390
3-(4-Chloro-3-methoxyphenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 99841302
1-(4-Fluoro-2-prop-2-ynoxyphenyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71870259
1-[2-(Difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842073
1-(2-Ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842121
1-[2-(2,2-difluoroethoxy)phenyl]-3-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97073474
1-[2-(2,2-difluoroethoxy)phenyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97073475
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)aniline
CID 168580268
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-ethoxy-5-fluoroaniline
CID 168580494

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86851215) is 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is COCCOc1c(Cl)cccc1NC(=O)NCc1cnc(C)s1.
What is the InChIKey of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is OFRMDQFTSDDVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-10-17-8-11(23-10)9-18-15(20)19-13-5-3-4-12(16)14(13)22-7-6-21-2/h3-5,8H,6-7,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 355.85 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86851215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).