(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol

C9H8N2O2S — CID 130242448

IUPAC(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol
SMILESOC(O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-5,9,12-13H
InChIKeyNUAGTMWWWLMABL-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.19
Rot. Bonds2

About (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol

(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol (PubChem CID 130242448) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol.

Molecular Properties

Compound Name(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol
PubChem CID130242448
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol
SMILESOC(O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-5,9,12-13H
InChIKeyNUAGTMWWWLMABL-UHFFFAOYSA-N
XLogP1.19
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol
CID 134369302
3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891375
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889238
N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64542865
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
CID 151833178

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol?
The IUPAC name of (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol (CID 130242448) is (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol.
What is the SMILES notation for (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol?
The canonical SMILES for (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol is OC(O)c1csc(-c2cccnc2)n1.
What is the InChIKey of (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol?
The InChIKey is NUAGTMWWWLMABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-5,9,12-13H.
What are the key properties of (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol?
(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol has a molecular weight of 208.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol is sourced from PubChem (CID 130242448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).