2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol

C17H24N2OS — CID 62752810

IUPAC2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCC(C)C(C)N(C)c1nc(CC(O)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-12(2)13(3)19(4)17-18-15(11-21-17)10-16(20)14-8-6-5-7-9-14/h5-9,11-13,16,20H,10H2,1-4H3
InChIKeyDWPIGALCDGLNQS-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.90
Rot. Bonds6

About 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol

2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol (PubChem CID 62752810) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
PubChem CID62752810
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCC(C)C(C)N(C)c1nc(CC(O)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-12(2)13(3)19(4)17-18-15(11-21-17)10-16(20)14-8-6-5-7-9-14/h5-9,11-13,16,20H,10H2,1-4H3
InChIKeyDWPIGALCDGLNQS-UHFFFAOYSA-N
XLogP3.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62754698
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
ethyl 3-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486363
2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 80685288
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
CID 62364984
4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 83155951
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 79712451
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
The IUPAC name of 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol (CID 62752810) is 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol is CC(C)C(C)N(C)c1nc(CC(O)c2ccccc2)cs1.
What is the InChIKey of 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
The InChIKey is DWPIGALCDGLNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(2)13(3)19(4)17-18-15(11-21-17)10-16(20)14-8-6-5-7-9-14/h5-9,11-13,16,20H,10H2,1-4H3.
What are the key properties of 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol has a molecular weight of 304.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 62752810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).