3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide

C16H14N4O3S2 — CID 138522753

IUPAC3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cnc(-c3cccnc3)s2)nc1C(N)=O
InChIInChI=1S/C16H14N4O3S2/c1-2-25(22,23)13-6-5-11(20-14(13)15(17)21)12-9-19-16(24-12)10-4-3-7-18-8-10/h3-9H,2H2,1H3,(H2,17,21)
InChIKeyIZDYTIVAMBGCCI-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.16
Rot. Bonds5

About 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide

3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide (PubChem CID 138522753) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide
PubChem CID138522753
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cnc(-c3cccnc3)s2)nc1C(N)=O
InChIInChI=1S/C16H14N4O3S2/c1-2-25(22,23)13-6-5-11(20-14(13)15(17)21)12-9-19-16(24-12)10-4-3-7-18-8-10/h3-9H,2H2,1H3,(H2,17,21)
InChIKeyIZDYTIVAMBGCCI-UHFFFAOYSA-N
XLogP2.16
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide (CID 138522753) is 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide is CCS(=O)(=O)c1ccc(-c2cnc(-c3cccnc3)s2)nc1C(N)=O.
What is the InChIKey of 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is IZDYTIVAMBGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-2-25(22,23)13-6-5-11(20-14(13)15(17)21)12-9-19-16(24-12)10-4-3-7-18-8-10/h3-9H,2H2,1H3,(H2,17,21).
What are the key properties of 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide?
3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138522753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).