N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C13H14N4O3S — CID 38039287

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2nc3c(s2)CCC3)c1=O
InChIInChI=1S/C13H14N4O3S/c1-16-11(19)5-6-17(13(16)20)7-10(18)15-12-14-8-3-2-4-9(8)21-12/h5-6H,2-4,7H2,1H3,(H,14,15,18)
InChIKeyIBOUHUDKPRRIOM-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.13
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 38039287) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID38039287
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2nc3c(s2)CCC3)c1=O
InChIInChI=1S/C13H14N4O3S/c1-16-11(19)5-6-17(13(16)20)7-10(18)15-12-14-8-3-2-4-9(8)21-12/h5-6H,2-4,7H2,1H3,(H,14,15,18)
InChIKeyIBOUHUDKPRRIOM-UHFFFAOYSA-N
XLogP0.13
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 38039287) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cn1c(=O)ccn(CC(=O)Nc2nc3c(s2)CCC3)c1=O.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is IBOUHUDKPRRIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-16-11(19)5-6-17(13(16)20)7-10(18)15-12-14-8-3-2-4-9(8)21-12/h5-6H,2-4,7H2,1H3,(H,14,15,18).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 306.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 38039287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).