3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol

C17H24N2OS — CID 82105043

IUPAC3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol
SMILESCCc1ccc(-c2nc(C)c(C(O)CCN(C)C)s2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-13-6-8-14(9-7-13)17-18-12(2)16(21-17)15(20)10-11-19(3)4/h6-9,15,20H,5,10-11H2,1-4H3
InChIKeySARGHKWPHNCRSV-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.67
Rot. Bonds6

About 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol

3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 82105043) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol
PubChem CID82105043
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol
SMILESCCc1ccc(-c2nc(C)c(C(O)CCN(C)C)s2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-13-6-8-14(9-7-13)17-18-12(2)16(21-17)15(20)10-11-19(3)4/h6-9,15,20H,5,10-11H2,1-4H3
InChIKeySARGHKWPHNCRSV-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol
CID 143433872
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 6923600
(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001078
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 70831549
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]butanoic acid
CID 145363135
3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884791
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
CID 115346033
1-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 21051230

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol (CID 82105043) is 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol is CCc1ccc(-c2nc(C)c(C(O)CCN(C)C)s2)cc1.
What is the InChIKey of 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is SARGHKWPHNCRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-13-6-8-14(9-7-13)17-18-12(2)16(21-17)15(20)10-11-19(3)4/h6-9,15,20H,5,10-11H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol?
3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 82105043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).