1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine

C21H22N3O2PS — CID 144799725

IUPAC1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine
SMILESCc1csc(-c2ccc(OCc3c(C4CC4)cccc3N(N)P=O)c(C)c2)n1
InChIInChI=1S/C21H22N3O2PS/c1-13-10-16(21-23-14(2)12-28-21)8-9-20(13)26-11-18-17(15-6-7-15)4-3-5-19(18)24(22)27-25/h3-5,8-10,12,15H,6-7,11,22H2,1-2H3
InChIKeyDGPLSYYHZXPAOA-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.77
Rot. Bonds7

About 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine

1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine (PubChem CID 144799725) has the molecular formula C21H22N3O2PS and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine.

Molecular Properties

Compound Name1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine
PubChem CID144799725
Molecular FormulaC21H22N3O2PS
Molecular Weight411.47 g/mol
Exact Mass411.12
IUPAC Name1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine
SMILESCc1csc(-c2ccc(OCc3c(C4CC4)cccc3N(N)P=O)c(C)c2)n1
InChIInChI=1S/C21H22N3O2PS/c1-13-10-16(21-23-14(2)12-28-21)8-9-20(13)26-11-18-17(15-6-7-15)4-3-5-19(18)24(22)27-25/h3-5,8-10,12,15H,6-7,11,22H2,1-2H3
InChIKeyDGPLSYYHZXPAOA-UHFFFAOYSA-N
XLogP5.77
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine
CID 144784943
1,3-diamino-1-[3-cyclopropyl-2-[[4-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-2-methylphenoxy]methyl]phenyl]-3-methylurea
CID 129144590
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930
3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
CID 144773248
N-[3-cyclopropyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126588218
1,3-diamino-1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-3-methylurea
CID 134547989
ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367560
1-[3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
CID 129039023
1-[3-cyclopropyl-2-[[2-methyl-4-(3-methyl-2-pyridinyl)phenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367342
1,3-diamino-1-[3-cyclopropyl-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]urea
CID 134548027
1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-cyclopropylphenyl]-4-methyltetrazol-5-one
CID 118290438

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine?
The IUPAC name of 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine (CID 144799725) is 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine.
What is the SMILES notation for 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine?
The canonical SMILES for 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine is Cc1csc(-c2ccc(OCc3c(C4CC4)cccc3N(N)P=O)c(C)c2)n1.
What is the InChIKey of 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine?
The InChIKey is DGPLSYYHZXPAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N3O2PS/c1-13-10-16(21-23-14(2)12-28-21)8-9-20(13)26-11-18-17(15-6-7-15)4-3-5-19(18)24(22)27-25/h3-5,8-10,12,15H,6-7,11,22H2,1-2H3.
What are the key properties of 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine?
1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine has a molecular weight of 411.47 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]-1-phosphorosohydrazine is sourced from PubChem (CID 144799725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).