N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine

C13H17N3OS — CID 65168628

IUPACN-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCOc2ccccc2N)sc1C
InChIInChI=1S/C13H17N3OS/c1-9-10(2)18-13(16-9)15-7-8-17-12-6-4-3-5-11(12)14/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeySGVHAZAPXOFBAW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65168628) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65168628
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCOc2ccccc2N)sc1C
InChIInChI=1S/C13H17N3OS/c1-9-10(2)18-13(16-9)15-7-8-17-12-6-4-3-5-11(12)14/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeySGVHAZAPXOFBAW-UHFFFAOYSA-N
XLogP2.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
5-(2-(2-Methoxyphenylamino)thiazol-4-yl)-4-methylthiazol-2-amine
CID 3120507
(2-Methoxyphenyl)-[4-(2-thienyl)thiazol-2-yl]amine
CID 785027
N-{2-[(2-ethoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1144665
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 44450281
5-bromo-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 16068742
N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 647482
N-(2-methoxyphenyl)-5-(thiophen-2-yl)-1,3-thiazol-2-amine
CID 659310
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
N-(2-methoxyphenyl)-4-methyl-1,3-thiazol-3-ium-2-amine bromide
CID 9551916
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]hexanamide
CID 11958449

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 65168628) is N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCCOc2ccccc2N)sc1C.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is SGVHAZAPXOFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-10(2)18-13(16-9)15-7-8-17-12-6-4-3-5-11(12)14/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65168628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).