1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol

C7H6N2OS2 — CID 131172938

IUPAC1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1ccns1)c1nccs1
InChIInChI=1S/C7H6N2OS2/c10-6(5-1-2-9-12-5)7-8-3-4-11-7/h1-4,6,10H
InChIKeyCTQZKFXQCSEGAE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.68
Rot. Bonds2

About 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol

1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol (PubChem CID 131172938) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol
PubChem CID131172938
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1ccns1)c1nccs1
InChIInChI=1S/C7H6N2OS2/c10-6(5-1-2-9-12-5)7-8-3-4-11-7/h1-4,6,10H
InChIKeyCTQZKFXQCSEGAE-UHFFFAOYSA-N
XLogP1.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
pyrazin-2-yl(1,2-thiazol-5-yl)methanol
CID 131172108
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 118355623
(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol
CID 119087694
(S)-(4-propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
CID 129490989
(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
CID 54170926
(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
CID 107128181
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid
CID 82415692
(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 106461391

Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol?
The IUPAC name of 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol (CID 131172938) is 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol?
The canonical SMILES for 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol is OC(c1ccns1)c1nccs1.
What is the InChIKey of 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol?
The InChIKey is CTQZKFXQCSEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c10-6(5-1-2-9-12-5)7-8-3-4-11-7/h1-4,6,10H.
What are the key properties of 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol?
1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol has a molecular weight of 198.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 131172938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).