ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride

C15H18ClN3O3S — CID 155586262

IUPACethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1cc(Oc2ccc(N)c(SC)c2)ccn1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-3-20-15(19)18-14-9-11(6-7-17-14)21-10-4-5-12(16)13(8-10)22-2;/h4-9H,3,16H2,1-2H3,(H,17,18,19);1H
InChIKeyHZOBIFLJTZUAGG-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.17
Rot. Bonds5

About ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride

ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride (PubChem CID 155586262) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
PubChem CID155586262
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Nameethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1cc(Oc2ccc(N)c(SC)c2)ccn1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-3-20-15(19)18-14-9-11(6-7-17-14)21-10-4-5-12(16)13(8-10)22-2;/h4-9H,3,16H2,1-2H3,(H,17,18,19);1H
InChIKeyHZOBIFLJTZUAGG-UHFFFAOYSA-N
XLogP4.17
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamic acid;hydrochloride
CID 163210137
benzyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586385
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
CID 146264472
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate
CID 154174039
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 46901092
N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride (CID 155586262) is ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride is CCOC(=O)Nc1cc(Oc2ccc(N)c(SC)c2)ccn1.Cl.
What is the InChIKey of ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride?
The InChIKey is HZOBIFLJTZUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c1-3-20-15(19)18-14-9-11(6-7-17-14)21-10-4-5-12(16)13(8-10)22-2;/h4-9H,3,16H2,1-2H3,(H,17,18,19);1H.
What are the key properties of ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride?
ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride is sourced from PubChem (CID 155586262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).