4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine

C12H15N3S — CID 82475643

IUPAC4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCc1ccccc1NCc1csc(N)n1
InChIInChI=1S/C12H15N3S/c1-2-9-5-3-4-6-11(9)14-7-10-8-16-12(13)15-10/h3-6,8,14H,2,7H2,1H3,(H2,13,15)
InChIKeyMICWTAAGBDOGRI-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.90
Rot. Bonds4

About 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine

4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 82475643) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID82475643
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCc1ccccc1NCc1csc(N)n1
InChIInChI=1S/C12H15N3S/c1-2-9-5-3-4-6-11(9)14-7-10-8-16-12(13)15-10/h3-6,8,14H,2,7H2,1H3,(H2,13,15)
InChIKeyMICWTAAGBDOGRI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine (CID 82475643) is 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine is CCc1ccccc1NCc1csc(N)n1.
What is the InChIKey of 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is MICWTAAGBDOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-9-5-3-4-6-11(9)14-7-10-8-16-12(13)15-10/h3-6,8,14H,2,7H2,1H3,(H2,13,15).
What are the key properties of 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine?
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82475643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).