2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol

C15H19NOS — CID 66060376

IUPAC2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1ncc(CC(CO)Cc2ccccc2C)s1
InChIInChI=1S/C15H19NOS/c1-11-5-3-4-6-14(11)7-13(10-17)8-15-9-16-12(2)18-15/h3-6,9,13,17H,7-8,10H2,1-2H3
InChIKeyYUAOCFKWGDEOGM-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.15
Rot. Bonds5

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

2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 66060376) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
PubChem CID66060376
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1ncc(CC(CO)Cc2ccccc2C)s1
InChIInChI=1S/C15H19NOS/c1-11-5-3-4-6-14(11)7-13(10-17)8-15-9-16-12(2)18-15/h3-6,9,13,17H,7-8,10H2,1-2H3
InChIKeyYUAOCFKWGDEOGM-UHFFFAOYSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol (CID 66060376) is 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol is Cc1ncc(CC(CO)Cc2ccccc2C)s1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is YUAOCFKWGDEOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-5-3-4-6-14(11)7-13(10-17)8-15-9-16-12(2)18-15/h3-6,9,13,17H,7-8,10H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 66060376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).