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

C14H17NOS — CID 79437210

IUPAC2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2csc(C)n2)cc1
InChIInChI=1S/C14H17NOS/c1-10-3-5-12(6-4-10)13(8-16)7-14-9-17-11(2)15-14/h3-6,9,13,16H,7-8H2,1-2H3
InChIKeyNDEBOBBPJKBWLL-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.08
Rot. Bonds4

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

2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (PubChem CID 79437210) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
PubChem CID79437210
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2csc(C)n2)cc1
InChIInChI=1S/C14H17NOS/c1-10-3-5-12(6-4-10)13(8-16)7-14-9-17-11(2)15-14/h3-6,9,13,16H,7-8H2,1-2H3
InChIKeyNDEBOBBPJKBWLL-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79442011
2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79433561
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The IUPAC name of 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (CID 79437210) is 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is Cc1ccc(C(CO)Cc2csc(C)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The InChIKey is NDEBOBBPJKBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-3-5-12(6-4-10)13(8-16)7-14-9-17-11(2)15-14/h3-6,9,13,16H,7-8H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is sourced from PubChem (CID 79437210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).