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

C11H14N3O3PS — CID 23269356

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea
SMILESCP(=O)(NC(=O)NC1=NCCS1)Oc1ccccc1
InChIInChI=1S/C11H14N3O3PS/c1-18(16,17-9-5-3-2-4-6-9)14-10(15)13-11-12-7-8-19-11/h2-6H,7-8H2,1H3,(H2,12,13,14,15,16)
InChIKeySNMOIVDHXKGXDP-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.29
Rot. Bonds3

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

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea (PubChem CID 23269356) has the molecular formula C11H14N3O3PS and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea
PubChem CID23269356
Molecular FormulaC11H14N3O3PS
Molecular Weight299.29 g/mol
Exact Mass299.05
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea
SMILESCP(=O)(NC(=O)NC1=NCCS1)Oc1ccccc1
InChIInChI=1S/C11H14N3O3PS/c1-18(16,17-9-5-3-2-4-6-9)14-10(15)13-11-12-7-8-19-11/h2-6H,7-8H2,1H3,(H2,12,13,14,15,16)
InChIKeySNMOIVDHXKGXDP-UHFFFAOYSA-N
XLogP2.29
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea
CID 23269357
N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 3517065
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 163590328
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 3881497
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108893037
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 4801992
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
CID 108884683
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903692

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea (CID 23269356) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea is CP(=O)(NC(=O)NC1=NCCS1)Oc1ccccc1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea?
The InChIKey is SNMOIVDHXKGXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3O3PS/c1-18(16,17-9-5-3-2-4-6-9)14-10(15)13-11-12-7-8-19-11/h2-6H,7-8H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea has a molecular weight of 299.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea is sourced from PubChem (CID 23269356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).