(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide

C15H17N3O3S2 — CID 125165412

IUPAC(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O3S2/c19-14(12-4-7-23(20,21)10-12)17-6-3-13-9-22-15(18-13)11-2-1-5-16-8-11/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,17,19)/t12-/m0/s1
InChIKeyJAGGBDDDIQMYGL-LBPRGKRZSA-N
MW351.45 g/mol
LogP1.30
Rot. Bonds5

About (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide

(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide (PubChem CID 125165412) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide
PubChem CID125165412
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O3S2/c19-14(12-4-7-23(20,21)10-12)17-6-3-13-9-22-15(18-13)11-2-1-5-16-8-11/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,17,19)/t12-/m0/s1
InChIKeyJAGGBDDDIQMYGL-LBPRGKRZSA-N
XLogP1.30
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1,1-dioxo-N-[3-(pyridin-3-ylmethylamino)propyl]thiolane-3-carboxamide
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2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
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3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide?
The IUPAC name of (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide (CID 125165412) is (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide.
What is the SMILES notation for (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide?
The canonical SMILES for (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide?
The InChIKey is JAGGBDDDIQMYGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-14(12-4-7-23(20,21)10-12)17-6-3-13-9-22-15(18-13)11-2-1-5-16-8-11/h1-2,5,8-9,12H,3-4,6-7,10H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide?
(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide is sourced from PubChem (CID 125165412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).