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

C16H22N2O2S — CID 111112628

IUPAC2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
SMILESCc1nc(COc2ccc(CNC(C)(C)CO)cc2)cs1
InChIInChI=1S/C16H22N2O2S/c1-12-18-14(10-21-12)9-20-15-6-4-13(5-7-15)8-17-16(2,3)11-19/h4-7,10,17,19H,8-9,11H2,1-3H3
InChIKeyRHWDLWBWQAIQJH-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.89
Rot. Bonds7

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

2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol (PubChem CID 111112628) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
PubChem CID111112628
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
SMILESCc1nc(COc2ccc(CNC(C)(C)CO)cc2)cs1
InChIInChI=1S/C16H22N2O2S/c1-12-18-14(10-21-12)9-20-15-6-4-13(5-7-15)8-17-16(2,3)11-19/h4-7,10,17,19H,8-9,11H2,1-3H3
InChIKeyRHWDLWBWQAIQJH-UHFFFAOYSA-N
XLogP2.89
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 110905977
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine
CID 86884892
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 2958853
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
CID 8851200
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 110891814
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol (CID 111112628) is 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol is Cc1nc(COc2ccc(CNC(C)(C)CO)cc2)cs1.
What is the InChIKey of 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
The InChIKey is RHWDLWBWQAIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-18-14(10-21-12)9-20-15-6-4-13(5-7-15)8-17-16(2,3)11-19/h4-7,10,17,19H,8-9,11H2,1-3H3.
What are the key properties of 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol?
2-methyl-2-[[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 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 111112628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).