2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C14H17N5O4S — CID 108801599

IUPAC2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CCn2ccc(=O)[nH]c2=O)sc1C(=O)N(C)C
InChIInChI=1S/C14H17N5O4S/c1-8-11(12(22)18(2)3)24-13(15-8)16-9(20)4-6-19-7-5-10(21)17-14(19)23/h5,7H,4,6H2,1-3H3,(H,15,16,20)(H,17,21,23)
InChIKeyAHEYQHSFNBFVRB-UHFFFAOYSA-N
MW351.39 g/mol
LogP0.03
Rot. Bonds5

About 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 108801599) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID108801599
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CCn2ccc(=O)[nH]c2=O)sc1C(=O)N(C)C
InChIInChI=1S/C14H17N5O4S/c1-8-11(12(22)18(2)3)24-13(15-8)16-9(20)4-6-19-7-5-10(21)17-14(19)23/h5,7H,4,6H2,1-3H3,(H,15,16,20)(H,17,21,23)
InChIKeyAHEYQHSFNBFVRB-UHFFFAOYSA-N
XLogP0.03
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801631
N,N,4-trimethyl-2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 39757885
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 110442604
3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 91789350
N,N,4-trimethyl-2-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 56764835
N,N,4-trimethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 17307832
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
2-[[2-[[5-[1-(4-fluorophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 19640426
2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4536187
N,N,4-trimethyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 22196936
N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801689
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 108801599) is 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CCn2ccc(=O)[nH]c2=O)sc1C(=O)N(C)C.
What is the InChIKey of 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is AHEYQHSFNBFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-8-11(12(22)18(2)3)24-13(15-8)16-9(20)4-6-19-7-5-10(21)17-14(19)23/h5,7H,4,6H2,1-3H3,(H,15,16,20)(H,17,21,23).
What are the key properties of 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 108801599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).