N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine

C12H15N3S — CID 61221194

IUPACN-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCCc2ccc(N)cc2)n1
InChIInChI=1S/C12H15N3S/c1-9-8-16-12(15-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyKGNGCSGFTXYOFM-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine

N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 61221194) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID61221194
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCCc2ccc(N)cc2)n1
InChIInChI=1S/C12H15N3S/c1-9-8-16-12(15-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyKGNGCSGFTXYOFM-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 29050516
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106105461
N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 54915064
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 84761962
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106404327
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 83153478
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580
N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 61020818
4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
CID 131025758
N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114476457

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (CID 61221194) is N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NCCc2ccc(N)cc2)n1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KGNGCSGFTXYOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-8-16-12(15-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 61221194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).