[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol

C14H12N2O2S2 — CID 10828361

IUPAC[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2cccc(-c3nc(CO)cs3)c2)n1
InChIInChI=1S/C14H12N2O2S2/c17-5-11-7-19-13(15-11)9-2-1-3-10(4-9)14-16-12(6-18)8-20-14/h1-4,7-8,17-18H,5-6H2
InChIKeyJEWXTZJQQWYEKZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.92
Rot. Bonds4

About [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol

[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol (PubChem CID 10828361) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
PubChem CID10828361
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2cccc(-c3nc(CO)cs3)c2)n1
InChIInChI=1S/C14H12N2O2S2/c17-5-11-7-19-13(15-11)9-2-1-3-10(4-9)14-16-12(6-18)8-20-14/h1-4,7-8,17-18H,5-6H2
InChIKeyJEWXTZJQQWYEKZ-UHFFFAOYSA-N
XLogP2.92
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
CID 155289704
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 116889071
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
8-chloro-7-ethyl-4-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
CID 150217075
[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 115528203

Frequently Asked Questions

What is the IUPAC name of [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol (CID 10828361) is [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol is OCc1csc(-c2cccc(-c3nc(CO)cs3)c2)n1.
What is the InChIKey of [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is JEWXTZJQQWYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-5-11-7-19-13(15-11)9-2-1-3-10(4-9)14-16-12(6-18)8-20-14/h1-4,7-8,17-18H,5-6H2.
What are the key properties of [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol?
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 304.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 10828361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).