N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H11Cl2N2OPS2 — CID 12557316

IUPACN-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCP(=S)(NC1=NCCS1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N2OPS2/c1-16(17,14-10-13-4-5-18-10)15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14,17)
InChIKeyIYDOGZZALLYEGC-UHFFFAOYSA-N
MW341.23 g/mol
LogP4.00
Rot. Bonds3

About N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 12557316) has the molecular formula C10H11Cl2N2OPS2 and a molecular weight of 341.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID12557316
Molecular FormulaC10H11Cl2N2OPS2
Molecular Weight341.23 g/mol
Exact Mass339.94
IUPAC NameN-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCP(=S)(NC1=NCCS1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N2OPS2/c1-16(17,14-10-13-4-5-18-10)15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14,17)
InChIKeyIYDOGZZALLYEGC-UHFFFAOYSA-N
XLogP4.00
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 54.00
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

N-[methyl(phenoxy)phosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 3517065
N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 14033151
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068100
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 9299
N-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068132
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 960169
N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81275151
S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate
CID 805258
2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593171
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 12557316) is N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine is CP(=S)(NC1=NCCS1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IYDOGZZALLYEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N2OPS2/c1-16(17,14-10-13-4-5-18-10)15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14,17).
What are the key properties of N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 341.23 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenoxy)-methylphosphinothioyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 12557316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).