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

C9H8N2O2S — CID 134369302

IUPAC(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol
SMILESOC(O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5,9,12-13H
InChIKeyZFCOXVCKUNIGPG-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.19
Rot. Bonds2

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

(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol (PubChem CID 134369302) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol.

Molecular Properties

Compound Name(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol
PubChem CID134369302
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol
SMILESOC(O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5,9,12-13H
InChIKeyZFCOXVCKUNIGPG-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-3-yl-1,3-thiazol-4-yl)methanediol
CID 130242448
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
2-amino-1-(2-phenyl-1,3-thiazol-4-yl)ethanol
CID 14076241
4-(difluoromethyl)-2-phenyl-1,3-thiazole
CID 91615128
2-[[2-carboxy-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]amino]-4-methylpentanoic acid
CID 70088003
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 70818588
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110428238
oxido-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)azanium
CID 88725894
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889074
N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 88725895
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol?
The IUPAC name of (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol (CID 134369302) is (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol.
What is the SMILES notation for (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol?
The canonical SMILES for (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol is OC(O)c1csc(-c2ccncc2)n1.
What is the InChIKey of (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol?
The InChIKey is ZFCOXVCKUNIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5,9,12-13H.
What are the key properties of (2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol?
(2-pyridin-4-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-4-yl-1,3-thiazol-4-yl)methanediol is sourced from PubChem (CID 134369302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).