N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide

C16H15N5O3S2 — CID 148833484

IUPACN,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)c1cccc(-c2cnc(-c3cncnc3)s2)n1
InChIInChI=1S/C16H15N5O3S2/c1-21(2)26(23,24)9-14(22)12-4-3-5-13(20-12)15-8-19-16(25-15)11-6-17-10-18-7-11/h3-8,10H,9H2,1-2H3
InChIKeyOUDDIWDUIQUVCU-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.74
Rot. Bonds6

About N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide

N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide (PubChem CID 148833484) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide
PubChem CID148833484
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC NameN,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)c1cccc(-c2cnc(-c3cncnc3)s2)n1
InChIInChI=1S/C16H15N5O3S2/c1-21(2)26(23,24)9-14(22)12-4-3-5-13(20-12)15-8-19-16(25-15)11-6-17-10-18-7-11/h3-8,10H,9H2,1-2H3
InChIKeyOUDDIWDUIQUVCU-UHFFFAOYSA-N
XLogP1.74
TPSA106.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide (CID 148833484) is N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide is CN(C)S(=O)(=O)CC(=O)c1cccc(-c2cnc(-c3cncnc3)s2)n1.
What is the InChIKey of N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide?
The InChIKey is OUDDIWDUIQUVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c1-21(2)26(23,24)9-14(22)12-4-3-5-13(20-12)15-8-19-16(25-15)11-6-17-10-18-7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide?
N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide has a molecular weight of 389.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-2-[6-(2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 148833484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).