1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

C14H17NOS — CID 62799671

IUPAC1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2csc(C)n2)cc1
InChIInChI=1S/C14H17NOS/c1-10-3-5-12(6-4-10)7-14(16)8-13-9-17-11(2)15-13/h3-6,9,14,16H,7-8H2,1-2H3
InChIKeyBNVQQEMIBFIWSV-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 62799671) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID62799671
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2csc(C)n2)cc1
InChIInChI=1S/C14H17NOS/c1-10-3-5-12(6-4-10)7-14(16)8-13-9-17-11(2)15-13/h3-6,9,14,16H,7-8H2,1-2H3
InChIKeyBNVQQEMIBFIWSV-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800030
1-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 82869603
2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 79437210
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
CID 62798257
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79819728
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 62799671) is 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1ccc(CC(O)Cc2csc(C)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is BNVQQEMIBFIWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-3-5-12(6-4-10)7-14(16)8-13-9-17-11(2)15-13/h3-6,9,14,16H,7-8H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 247.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 62799671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).