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

C12H15N3S — CID 82475637

IUPAC4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N)n1)c1ccccc1
InChIInChI=1S/C12H15N3S/c1-9(10-5-3-2-4-6-10)14-7-11-8-16-12(13)15-11/h2-6,8-9,14H,7H2,1H3,(H2,13,15)
InChIKeyWDOINSVFMMAVDS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.58
Rot. Bonds4

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

4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 82475637) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID82475637
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N)n1)c1ccccc1
InChIInChI=1S/C12H15N3S/c1-9(10-5-3-2-4-6-10)14-7-11-8-16-12(13)15-11/h2-6,8-9,14H,7H2,1H3,(H2,13,15)
InChIKeyWDOINSVFMMAVDS-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-phenylethylamino)methyl]-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

Related Compounds

(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(1R)-1-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 174516938
(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
CID 86782178
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 104862911
(1S)-1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104862921
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine (CID 82475637) is 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine is CC(NCc1csc(N)n1)c1ccccc1.
What is the InChIKey of 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is WDOINSVFMMAVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(10-5-3-2-4-6-10)14-7-11-8-16-12(13)15-11/h2-6,8-9,14H,7H2,1H3,(H2,13,15).
What are the key properties of 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine?
4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82475637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).