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

C12H15N3O2S — CID 108893037

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea
SMILESCc1ccc(OCNC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H15N3O2S/c1-9-2-4-10(5-3-9)17-8-14-11(16)15-12-13-6-7-18-12/h2-5H,6-8H2,1H3,(H2,13,14,15,16)
InChIKeyRMRJRDZVOMVHAR-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.73
Rot. Bonds3

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

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea (PubChem CID 108893037) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea
PubChem CID108893037
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea
SMILESCc1ccc(OCNC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H15N3O2S/c1-9-2-4-10(5-3-9)17-8-14-11(16)15-12-13-6-7-18-12/h2-5H,6-8H2,1H3,(H2,13,14,15,16)
InChIKeyRMRJRDZVOMVHAR-UHFFFAOYSA-N
XLogP1.73
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870790
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 108892885
1-(5-bromopyrimidin-2-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108893138
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
CID 108892981
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenoxy)propanamide
CID 108795890
1-(3-chloropropyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892893
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892964
ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
CID 108893109
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea
CID 23269356
1-[(4-methylphenoxy)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108892984
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea (CID 108893037) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea is Cc1ccc(OCNC(=O)NC2=NCCS2)cc1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea?
The InChIKey is RMRJRDZVOMVHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-2-4-10(5-3-9)17-8-14-11(16)15-12-13-6-7-18-12/h2-5H,6-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea has a molecular weight of 265.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea is sourced from PubChem (CID 108893037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).