2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol

C16H22N2O2S — CID 110905977

IUPAC2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
SMILESCc1nc(COc2ccc(CNCC(C)CO)cc2)cs1
InChIInChI=1S/C16H22N2O2S/c1-12(9-19)7-17-8-14-3-5-16(6-4-14)20-10-15-11-21-13(2)18-15/h3-6,11-12,17,19H,7-10H2,1-2H3
InChIKeyHNDFHFFUVMPEIF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.75
Rot. Bonds8

About 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol

2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol (PubChem CID 110905977) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
PubChem CID110905977
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
SMILESCc1nc(COc2ccc(CNCC(C)CO)cc2)cs1
InChIInChI=1S/C16H22N2O2S/c1-12(9-19)7-17-8-14-3-5-16(6-4-14)20-10-15-11-21-13(2)18-15/h3-6,11-12,17,19H,7-10H2,1-2H3
InChIKeyHNDFHFFUVMPEIF-UHFFFAOYSA-N
XLogP2.75
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol 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

2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 111122759
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
CID 8851200
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine
CID 38048603
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine
CID 86884892
1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 86884942
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46438111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol (CID 110905977) is 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol is Cc1nc(COc2ccc(CNCC(C)CO)cc2)cs1.
What is the InChIKey of 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
The InChIKey is HNDFHFFUVMPEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12(9-19)7-17-8-14-3-5-16(6-4-14)20-10-15-11-21-13(2)18-15/h3-6,11-12,17,19H,7-10H2,1-2H3.
What are the key properties of 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol has a molecular weight of 306.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 110905977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).