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

C16H16N4O3S2 — CID 56901527

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O3S2/c1-19(9-11-10-25-15(17-11)12-3-2-8-24-12)14(22)5-7-20-6-4-13(21)18-16(20)23/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,21,23)
InChIKeyYASYGDIJSKFDBD-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.77
Rot. Bonds6

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

3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 56901527) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID56901527
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O3S2/c1-19(9-11-10-25-15(17-11)12-3-2-8-24-12)14(22)5-7-20-6-4-13(21)18-16(20)23/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,21,23)
InChIKeyYASYGDIJSKFDBD-UHFFFAOYSA-N
XLogP1.77
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 56901527) is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CN(Cc1csc(-c2cccs2)n1)C(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is YASYGDIJSKFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-19(9-11-10-25-15(17-11)12-3-2-8-24-12)14(22)5-7-20-6-4-13(21)18-16(20)23/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,21,23).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 56901527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).