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

C14H18N2OS — CID 63932074

IUPAC2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCC(C)(O)CNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2OS/c1-14(2,17)10-15-8-13-16-12(9-18-13)11-6-4-3-5-7-11/h3-7,9,15,17H,8,10H2,1-2H3
InChIKeyJURGGUJNWUKQJQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.67
Rot. Bonds5

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

2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 63932074) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID63932074
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCC(C)(O)CNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2OS/c1-14(2,17)10-15-8-13-16-12(9-18-13)11-6-4-3-5-7-11/h3-7,9,15,17H,8,10H2,1-2H3
InChIKeyJURGGUJNWUKQJQ-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propanenitrile
CID 104587238
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111607082
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 115608401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 63932074) is 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is CC(C)(O)CNCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is JURGGUJNWUKQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,17)10-15-8-13-16-12(9-18-13)11-6-4-3-5-7-11/h3-7,9,15,17H,8,10H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol has a molecular weight of 262.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 63932074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).