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

C11H14N3O2PS2 — CID 23269357

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea
SMILESCP(=S)(NC(=O)NC1=NCCS1)Oc1ccccc1
InChIInChI=1S/C11H14N3O2PS2/c1-17(18,16-9-5-3-2-4-6-9)14-10(15)13-11-12-7-8-19-11/h2-6H,7-8H2,1H3,(H2,12,13,14,15,18)
InChIKeyHRLSQWIOMBTELV-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.41
Rot. Bonds3

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

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea (PubChem CID 23269357) has the molecular formula C11H14N3O2PS2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea
PubChem CID23269357
Molecular FormulaC11H14N3O2PS2
Molecular Weight315.36 g/mol
Exact Mass315.03
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea
SMILESCP(=S)(NC(=O)NC1=NCCS1)Oc1ccccc1
InChIInChI=1S/C11H14N3O2PS2/c1-17(18,16-9-5-3-2-4-6-9)14-10(15)13-11-12-7-8-19-11/h2-6H,7-8H2,1H3,(H2,12,13,14,15,18)
InChIKeyHRLSQWIOMBTELV-UHFFFAOYSA-N
XLogP2.41
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.41
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)phosphoryl]urea
CID 23269356
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
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-naphthalen-1-ylurea
CID 108884683
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 5146476
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 4031678
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
CID 52876063
cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 7026828
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 4801992

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea (CID 23269357) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea is CP(=S)(NC(=O)NC1=NCCS1)Oc1ccccc1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea?
The InChIKey is HRLSQWIOMBTELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3O2PS2/c1-17(18,16-9-5-3-2-4-6-9)14-10(15)13-11-12-7-8-19-11/h2-6H,7-8H2,1H3,(H2,12,13,14,15,18).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea has a molecular weight of 315.36 g/mol, XLogP of 2.41, 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)phosphinothioyl]urea is sourced from PubChem (CID 23269357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).