2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol

C10H11NO2S — CID 135798388

IUPAC2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol
SMILESOCC1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2
InChIKeyCQCVSXXDUMTFCR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.25
Rot. Bonds2

About 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol

2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol (PubChem CID 135798388) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol
PubChem CID135798388
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol
SMILESOCC1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2
InChIKeyCQCVSXXDUMTFCR-UHFFFAOYSA-N
XLogP1.25
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pulicatin A
CID 136020617
Pulicatin B
CID 136020618
4,5-Dihydro-2-(2-hydroxyphenyl)-4-thiazolecarboxylic acid
CID 98430
Pulicatins G
CID 136030693
(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135404232
Aerugine
CID 136030596
(4S)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135482070
(4S)-2-(3-Hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylic acid
CID 135428666
2-[(4R,5R)-4-(hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol
CID 145967771
2-[(4S,5R)-4-(hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol
CID 145974750
4-Methylaeruginoic acid
CID 135505743
Alpha-(2-hydroxyethylimino)-alpha-methyl-O-cresol
CID 3456500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol?
The IUPAC name of 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol (CID 135798388) is 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol is OCC1CSC(c2ccccc2O)=N1.
What is the InChIKey of 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol?
The InChIKey is CQCVSXXDUMTFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2.
What are the key properties of 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol?
2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol has a molecular weight of 209.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 135798388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).