[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate

C9H8N2O3S — CID 123461305

IUPAC[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate
SMILESO=C(O)O[C@H]1CN=C(c2cccnc2)S1
InChIInChI=1S/C9H8N2O3S/c12-9(13)14-7-5-11-8(15-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/t7-/m1/s1
InChIKeyMTAVMTIDTSMLSF-SSDOTTSWSA-N
MW224.24 g/mol
LogP1.60
Rot. Bonds2

About [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate

[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate (PubChem CID 123461305) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate
PubChem CID123461305
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate
SMILESO=C(O)O[C@H]1CN=C(c2cccnc2)S1
InChIInChI=1S/C9H8N2O3S/c12-9(13)14-7-5-11-8(15-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/t7-/m1/s1
InChIKeyMTAVMTIDTSMLSF-SSDOTTSWSA-N
XLogP1.60
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7032537
3-amino-2-sulfanylpropanoic acid;methane;pyridine-3-carbonitrile;2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 161478989
(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 7032538
(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
CID 67281220
2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid
CID 23467909
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
5-pyridin-3-ylthiophene-2-carboxamide
CID 142116945
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
(E)-N-(4-bromo-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)-N-methylbut-2-enamide
CID 89014643
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
CID 157283677
CID 157283677
3-(4-pyridin-3-ylthiophen-3-yl)pyridine
CID 46316707

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate?
The IUPAC name of [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate (CID 123461305) is [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate?
The canonical SMILES for [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate is O=C(O)O[C@H]1CN=C(c2cccnc2)S1.
What is the InChIKey of [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate?
The InChIKey is MTAVMTIDTSMLSF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-9(13)14-7-5-11-8(15-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/t7-/m1/s1.
What are the key properties of [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate?
[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate has a molecular weight of 224.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 123461305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).