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

C14H18N4O3S — CID 91778461

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc(CCCNC(=O)CCn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C14H18N4O3S/c1-10-9-22-13(16-10)3-2-6-15-11(19)4-7-18-8-5-12(20)17-14(18)21/h5,8-9H,2-4,6-7H2,1H3,(H,15,19)(H,17,20,21)
InChIKeyOFWOCQOGAYDBLI-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.44
Rot. Bonds7

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

3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 91778461) 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-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
PubChem CID91778461
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc(CCCNC(=O)CCn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C14H18N4O3S/c1-10-9-22-13(16-10)3-2-6-15-11(19)4-7-18-8-5-12(20)17-14(18)21/h5,8-9H,2-4,6-7H2,1H3,(H,15,19)(H,17,20,21)
InChIKeyOFWOCQOGAYDBLI-UHFFFAOYSA-N
XLogP0.44
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
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CID 90508318
4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]butanoic acid
CID 108788657
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 91789350
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
3-(2,4-dioxopyrimidin-1-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (CID 91778461) is 3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is Cc1csc(CCCNC(=O)CCn2ccc(=O)[nH]c2=O)n1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is OFWOCQOGAYDBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-9-22-13(16-10)3-2-6-15-11(19)4-7-18-8-5-12(20)17-14(18)21/h5,8-9H,2-4,6-7H2,1H3,(H,15,19)(H,17,20,21).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 322.39 g/mol, XLogP of 0.44, 7 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-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 91778461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).