(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate

C9H7N2O2S- — CID 7032538

IUPAC(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESO=C([O-])[C@@H]1CSC(c2cccnc2)=N1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/p-1/t7-/m0/s1
InChIKeyLJGAQGZEJDQDAU-ZETCQYMHSA-M
MW207.23 g/mol
LogP-0.31
Rot. Bonds2

About (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate

(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 7032538) has the molecular formula C9H7N2O2S- and a molecular weight of 207.23 g/mol. Its IUPAC name is (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID7032538
Molecular FormulaC9H7N2O2S-
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESO=C([O-])[C@@H]1CSC(c2cccnc2)=N1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/p-1/t7-/m0/s1
InChIKeyLJGAQGZEJDQDAU-ZETCQYMHSA-M
XLogP-0.31
TPSA65.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 7032538) is (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate is O=C([O-])[C@@H]1CSC(c2cccnc2)=N1.
What is the InChIKey of (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is LJGAQGZEJDQDAU-ZETCQYMHSA-M. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/p-1/t7-/m0/s1.
What are the key properties of (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate?
(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 207.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7032538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).