2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol

C14H17NOS — CID 116890539

IUPAC2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1ccc(-c2nc(C(C)(C)O)cs2)cc1C
InChIInChI=1S/C14H17NOS/c1-9-5-6-11(7-10(9)2)13-15-12(8-17-13)14(3,4)16/h5-8,16H,1-4H3
InChIKeyNQDDHSZMAMUPEQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.65
Rot. Bonds2

About 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 116890539) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID116890539
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1ccc(-c2nc(C(C)(C)O)cs2)cc1C
InChIInChI=1S/C14H17NOS/c1-9-5-6-11(7-10(9)2)13-15-12(8-17-13)14(3,4)16/h5-8,16H,1-4H3
InChIKeyNQDDHSZMAMUPEQ-UHFFFAOYSA-N
XLogP3.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890545
2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
CID 116890605
2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol
CID 82516365
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 116889988
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 103597395

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol (CID 116890539) is 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol is Cc1ccc(-c2nc(C(C)(C)O)cs2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is NQDDHSZMAMUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9-5-6-11(7-10(9)2)13-15-12(8-17-13)14(3,4)16/h5-8,16H,1-4H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 247.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 116890539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).