4-(1,3-thiazol-4-ylmethyl)phenol

C10H9NOS — CID 23553308

IUPAC4-(1,3-thiazol-4-ylmethyl)phenol
SMILESOc1ccc(Cc2cscn2)cc1
InChIInChI=1S/C10H9NOS/c12-10-3-1-8(2-4-10)5-9-6-13-7-11-9/h1-4,6-7,12H,5H2
InChIKeyQYDNEOCEEZTPGB-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.44
Rot. Bonds2

About 4-(1,3-thiazol-4-ylmethyl)phenol

4-(1,3-thiazol-4-ylmethyl)phenol (PubChem CID 23553308) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethyl)phenol
PubChem CID23553308
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name4-(1,3-thiazol-4-ylmethyl)phenol
SMILESOc1ccc(Cc2cscn2)cc1
InChIInChI=1S/C10H9NOS/c12-10-3-1-8(2-4-10)5-9-6-13-7-11-9/h1-4,6-7,12H,5H2
InChIKeyQYDNEOCEEZTPGB-UHFFFAOYSA-N
XLogP2.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 77020366
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
4-(fluoromethyl)-1,3-thiazole
CID 76551954
4-(1,2-oxazol-3-ylmethyl)phenol
CID 171846584
[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol
CID 66399961
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
4-[(Z)-N-[(E)-[1-(2,4-dihydroxyphenyl)-2-(1,3-thiazol-4-yl)ethylidene]amino]-C-(1,3-thiazol-4-ylmethyl)carbonimidoyl]benzene-1,3-diol
CID 135608110
4-[(2-bromopyrimidin-5-yl)methyl]phenol
CID 117224309
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethyl)phenol?
The IUPAC name of 4-(1,3-thiazol-4-ylmethyl)phenol (CID 23553308) is 4-(1,3-thiazol-4-ylmethyl)phenol.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethyl)phenol?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethyl)phenol is Oc1ccc(Cc2cscn2)cc1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethyl)phenol?
The InChIKey is QYDNEOCEEZTPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-10-3-1-8(2-4-10)5-9-6-13-7-11-9/h1-4,6-7,12H,5H2.
What are the key properties of 4-(1,3-thiazol-4-ylmethyl)phenol?
4-(1,3-thiazol-4-ylmethyl)phenol has a molecular weight of 191.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethyl)phenol is sourced from PubChem (CID 23553308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).