4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine

C12H15N3S — CID 10647870

IUPAC4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(CCN)cs2)c1
InChIInChI=1S/C12H15N3S/c1-9-3-2-4-10(7-9)14-12-15-11(5-6-13)8-16-12/h2-4,7-8H,5-6,13H2,1H3,(H,14,15)
InChIKeyOZJQWPPSAXIREU-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds4

About 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine

4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 10647870) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID10647870
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(CCN)cs2)c1
InChIInChI=1S/C12H15N3S/c1-9-3-2-4-10(7-9)14-12-15-11(5-6-13)8-16-12/h2-4,7-8H,5-6,13H2,1H3,(H,14,15)
InChIKeyOZJQWPPSAXIREU-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
CID 28711493
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
CID 103486018
4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 94695298
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 10647870) is 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(CCN)cs2)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is OZJQWPPSAXIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-3-2-4-10(7-9)14-12-15-11(5-6-13)8-16-12/h2-4,7-8H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10647870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).