3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol

C14H17NOS — CID 116967334

IUPAC3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
SMILESCC(C)C(CO)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17NOS/c1-10(2)12(8-16)14-15-13(9-17-14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8H2,1-2H3
InChIKeyNHLDAKJVAQKWAI-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.54
Rot. Bonds4

About 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol

3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol (PubChem CID 116967334) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
PubChem CID116967334
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
SMILESCC(C)C(CO)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17NOS/c1-10(2)12(8-16)14-15-13(9-17-14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8H2,1-2H3
InChIKeyNHLDAKJVAQKWAI-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967340
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
CID 116967341
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
CID 116734555
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967248
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
CID 97353571

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol (CID 116967334) is 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol is CC(C)C(CO)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is NHLDAKJVAQKWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(2)12(8-16)14-15-13(9-17-14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8H2,1-2H3.
What are the key properties of 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol?
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 116967334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).