3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C14H18N4O3S — CID 91789350

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCc1nc(C)sc1CNC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3S/c1-3-10-11(22-9(2)16-10)8-15-12(19)4-6-18-7-5-13(20)17-14(18)21/h5,7H,3-4,6,8H2,1-2H3,(H,15,19)(H,17,20,21)
InChIKeyGUPHARPBZXGSMT-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.57
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 91789350) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID91789350
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCc1nc(C)sc1CNC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3S/c1-3-10-11(22-9(2)16-10)8-15-12(19)4-6-18-7-5-13(20)17-14(18)21/h5,7H,3-4,6,8H2,1-2H3,(H,15,19)(H,17,20,21)
InChIKeyGUPHARPBZXGSMT-UHFFFAOYSA-N
XLogP0.57
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108810774
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91761725
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 108801599
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91760946
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 91778461
4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]butanoic acid
CID 108788657
3-(2,4-dioxopyrimidin-1-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108801629
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 56747492
6-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 108788654
3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508318

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 91789350) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide is CCc1nc(C)sc1CNC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is GUPHARPBZXGSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-3-10-11(22-9(2)16-10)8-15-12(19)4-6-18-7-5-13(20)17-14(18)21/h5,7H,3-4,6,8H2,1-2H3,(H,15,19)(H,17,20,21).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 322.39 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 91789350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).