N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C17H21N3O3S2 — CID 110648835

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccccn2)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N3O3S2/c1-2-20(13-8-10-25(22,23)12-13)17(21)7-6-16-19-15(11-24-16)14-5-3-4-9-18-14/h3-5,9,11,13H,2,6-8,10,12H2,1H3
InChIKeyNTDOGWVNLADEJR-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.17
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110648835) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110648835
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccccn2)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N3O3S2/c1-2-20(13-8-10-25(22,23)12-13)17(21)7-6-16-19-15(11-24-16)14-5-3-4-9-18-14/h3-5,9,11,13H,2,6-8,10,12H2,1H3
InChIKeyNTDOGWVNLADEJR-UHFFFAOYSA-N
XLogP2.17
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 112500923
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-(pyridin-2-ylmethyl)propanediamide
CID 108947458
3-(2-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120608067
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide
CID 112978632
1-(4-methylpiperazin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647750
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 78811067
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-phenylsulfanylpropanamide
CID 94814769
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-naphthalen-1-yloxyacetamide
CID 7851016
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123813
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649386

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 110648835) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is CCN(C(=O)CCc1nc(-c2ccccn2)cs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is NTDOGWVNLADEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-2-20(13-8-10-25(22,23)12-13)17(21)7-6-16-19-15(11-24-16)14-5-3-4-9-18-14/h3-5,9,11,13H,2,6-8,10,12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 379.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110648835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).