1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol

C6H6N4OS — CID 130729566

IUPAC1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1cscn1)c1ncn[nH]1
InChIInChI=1S/C6H6N4OS/c11-5(4-1-12-3-8-4)6-7-2-9-10-6/h1-3,5,11H,(H,7,9,10)
InChIKeyQNYFPTDSCOSQNT-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.34
Rot. Bonds2

About 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol

1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 130729566) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol
PubChem CID130729566
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1cscn1)c1ncn[nH]1
InChIInChI=1S/C6H6N4OS/c11-5(4-1-12-3-8-4)6-7-2-9-10-6/h1-3,5,11H,(H,7,9,10)
InChIKeyQNYFPTDSCOSQNT-UHFFFAOYSA-N
XLogP0.34
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazol-4-ylmethanediol
CID 59870088
phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
1,3-thiazol-4-yl(thiophen-2-yl)methanol
CID 78923935
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65363337
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
3-bromo-1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 171859372
2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362542
(5-chloro-3-pyridinyl)-(1,3-thiazol-4-yl)methanol
CID 130704823

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol (CID 130729566) is 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol is OC(c1cscn1)c1ncn[nH]1.
What is the InChIKey of 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is QNYFPTDSCOSQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c11-5(4-1-12-3-8-4)6-7-2-9-10-6/h1-3,5,11H,(H,7,9,10).
What are the key properties of 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol?
1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 182.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 130729566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).