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

C10H13N2OPS2 — CID 3517065

IUPACN-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCP(=S)(NC1=NCCS1)Oc1ccccc1
InChIInChI=1S/C10H13N2OPS2/c1-14(15,12-10-11-7-8-16-10)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12,15)
InChIKeyAKPVEGCSOKJUCN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.70
Rot. Bonds3

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

N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3517065) has the molecular formula C10H13N2OPS2 and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3517065
Molecular FormulaC10H13N2OPS2
Molecular Weight272.33 g/mol
Exact Mass272.02
IUPAC NameN-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCP(=S)(NC1=NCCS1)Oc1ccccc1
InChIInChI=1S/C10H13N2OPS2/c1-14(15,12-10-11-7-8-16-10)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12,15)
InChIKeyAKPVEGCSOKJUCN-UHFFFAOYSA-N
XLogP2.70
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12557316
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea
CID 23269356
N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068099
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride
CID 21413051
1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760299
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 29068124
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 3881497
N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 5169811
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198

Frequently Asked Questions

What is the IUPAC name of N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 3517065) is N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine is CP(=S)(NC1=NCCS1)Oc1ccccc1.
What is the InChIKey of N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AKPVEGCSOKJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2OPS2/c1-14(15,12-10-11-7-8-16-10)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12,15).
What are the key properties of N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 272.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3517065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).