2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol

C10H11NOS — CID 170458380

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol
SMILESOc1ccccc1CC1=NCCS1
InChIInChI=1S/C10H11NOS/c12-9-4-2-1-3-8(9)7-10-11-5-6-13-10/h1-4,12H,5-7H2
InChIKeyXTHPJZZUZWCDOY-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.08
Rot. Bonds2

About 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol

2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol (PubChem CID 170458380) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol
PubChem CID170458380
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol
SMILESOc1ccccc1CC1=NCCS1
InChIInChI=1S/C10H11NOS/c12-9-4-2-1-3-8(9)7-10-11-5-6-13-10/h1-4,12H,5-7H2
InChIKeyXTHPJZZUZWCDOY-UHFFFAOYSA-N
XLogP2.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-[(2-hydroxyphenyl)methyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 20782856
sodium 2-(4,5-dihydro-1,3-thiazol-2-yl)acetate
CID 23679119
lithium;2-benzylphenol;hydride
CID 174706000
2-[[2-(aminomethyl)phenyl]methyl]phenol
CID 174458594
2-benzylphenol;ethane
CID 91068983
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
(4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid
CID 58433747
CID 175749710
CID 175749710
2-(2-amino-2-methylpropyl)phenol
CID 22723438
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
2-[(4-amino-2-pyridinyl)methyl]phenol
CID 54024998
2-(cyclopenta-1,3-dien-1-ylmethyl)phenol
CID 70505882

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol (CID 170458380) is 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol is Oc1ccccc1CC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol?
The InChIKey is XTHPJZZUZWCDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-9-4-2-1-3-8(9)7-10-11-5-6-13-10/h1-4,12H,5-7H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol?
2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol has a molecular weight of 193.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylmethyl)phenol is sourced from PubChem (CID 170458380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).