N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C17H17N3O2S2 — CID 70771585

IUPACN-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C17H17N3O2S2/c1-19(15(21)7-9-20-8-3-2-6-16(20)22)11-13-12-24-17(18-13)14-5-4-10-23-14/h2-6,8,10,12H,7,9,11H2,1H3
InChIKeyDDRLGTJRNYXMCG-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.08
Rot. Bonds6

About N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide

N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 70771585) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID70771585
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C17H17N3O2S2/c1-19(15(21)7-9-20-8-3-2-6-16(20)22)11-13-12-24-17(18-13)14-5-4-10-23-14/h2-6,8,10,12H,7,9,11H2,1H3
InChIKeyDDRLGTJRNYXMCG-UHFFFAOYSA-N
XLogP3.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 70771585) is N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CN(Cc1csc(-c2cccs2)n1)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is DDRLGTJRNYXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-19(15(21)7-9-20-8-3-2-6-16(20)22)11-13-12-24-17(18-13)14-5-4-10-23-14/h2-6,8,10,12H,7,9,11H2,1H3.
What are the key properties of N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 359.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-1-pyridinyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 70771585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).