N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine

C19H21N3O3S — CID 11143204

IUPACN,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine
SMILESCCN(CC)C1=NS(=O)(=O)C(c2ccccn2)=C1c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-22(5-2)19-17(14-9-11-15(25-3)12-10-14)18(26(23,24)21-19)16-8-6-7-13-20-16/h6-13H,4-5H2,1-3H3
InChIKeyNYRMVHXINQQQLT-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.04
Rot. Bonds5

About N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine

N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine (PubChem CID 11143204) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine
PubChem CID11143204
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine
SMILESCCN(CC)C1=NS(=O)(=O)C(c2ccccn2)=C1c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-22(5-2)19-17(14-9-11-15(25-3)12-10-14)18(26(23,24)21-19)16-8-6-7-13-20-16/h6-13H,4-5H2,1-3H3
InChIKeyNYRMVHXINQQQLT-UHFFFAOYSA-N
XLogP3.04
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine?
The IUPAC name of N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine (CID 11143204) is N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine.
What is the SMILES notation for N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine?
The canonical SMILES for N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine is CCN(CC)C1=NS(=O)(=O)C(c2ccccn2)=C1c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine?
The InChIKey is NYRMVHXINQQQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(5-2)19-17(14-9-11-15(25-3)12-10-14)18(26(23,24)21-19)16-8-6-7-13-20-16/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine?
N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine has a molecular weight of 371.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 11143204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).