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

C12H15N3S — CID 88924668

IUPAC4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
SMILESCN(C)Cc1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C12H15N3S/c1-15(2)7-9-4-3-5-10(6-9)11-8-16-12(13)14-11/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyJMKZFMAFBASFEP-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.45
Rot. Bonds3

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

4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 88924668) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
PubChem CID88924668
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
SMILESCN(C)Cc1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C12H15N3S/c1-15(2)7-9-4-3-5-10(6-9)11-8-16-12(13)14-11/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyJMKZFMAFBASFEP-UHFFFAOYSA-N
XLogP2.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine (CID 88924668) is 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine is CN(C)Cc1cccc(-c2csc(N)n2)c1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is JMKZFMAFBASFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-15(2)7-9-4-3-5-10(6-9)11-8-16-12(13)14-11/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine?
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88924668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).