4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine

C15H21N3OS — CID 81351809

IUPAC4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21N3OS/c1-11(12-8-6-5-7-9-12)16-10-13-14(19-4)17-15(20-13)18(2)3/h5-9,11,16H,10H2,1-4H3/t11-/m0/s1
InChIKeyIMPMDAYFACBTSC-NSHDSACASA-N
MW291.42 g/mol
LogP3.07
Rot. Bonds6

About 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 81351809) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID81351809
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21N3OS/c1-11(12-8-6-5-7-9-12)16-10-13-14(19-4)17-15(20-13)18(2)3/h5-9,11,16H,10H2,1-4H3/t11-/m0/s1
InChIKeyIMPMDAYFACBTSC-NSHDSACASA-N
XLogP3.07
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine (CID 81351809) is 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CN[C@@H](C)c1ccccc1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is IMPMDAYFACBTSC-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11(12-8-6-5-7-9-12)16-10-13-14(19-4)17-15(20-13)18(2)3/h5-9,11,16H,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 81351809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).