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

C15H21N3OS — CID 43665108

IUPAC4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCCc1ccccc1
InChIInChI=1S/C15H21N3OS/c1-18(2)15-17-14(19-3)13(20-15)11-16-10-9-12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3
InChIKeyITJZETIYTBCTPT-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.55
Rot. Bonds7

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

4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43665108) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43665108
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCCc1ccccc1
InChIInChI=1S/C15H21N3OS/c1-18(2)15-17-14(19-3)13(20-15)11-16-10-9-12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3
InChIKeyITJZETIYTBCTPT-UHFFFAOYSA-N
XLogP2.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(2-fluorophenyl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43433376
4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
CID 60925601
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43665272
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
CID 43665038
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
CID 43665262
5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43690083
5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 106038137

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine (CID 43665108) is 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCCc1ccccc1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is ITJZETIYTBCTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18(2)15-17-14(19-3)13(20-15)11-16-10-9-12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 2.55, 7 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-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43665108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).