methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C11H10N4O5S — CID 43405890

IUPACmethyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H10N4O5S/c1-20-7(16)2-5-4-21-11(13-5)15-9(18)6-3-12-10(19)14-8(6)17/h3-4H,2H2,1H3,(H,13,15,18)(H2,12,14,17,19)
InChIKeyVURQLECDBLCJNN-UHFFFAOYSA-N
MW310.29 g/mol
LogP-0.51
Rot. Bonds4

About methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 43405890) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID43405890
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC Namemethyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H10N4O5S/c1-20-7(16)2-5-4-21-11(13-5)15-9(18)6-3-12-10(19)14-8(6)17/h3-4H,2H2,1H3,(H,13,15,18)(H2,12,14,17,19)
InChIKeyVURQLECDBLCJNN-UHFFFAOYSA-N
XLogP-0.51
TPSA134.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-[(2,5-dichloropyridine-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 104986172
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
methyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985076
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
methyl 2-[2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-[(1-methylimidazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 113264976
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 38986621
ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 16874821
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 43405890) is methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2c[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VURQLECDBLCJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c1-20-7(16)2-5-4-21-11(13-5)15-9(18)6-3-12-10(19)14-8(6)17/h3-4H,2H2,1H3,(H,13,15,18)(H2,12,14,17,19).
What are the key properties of methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 310.29 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43405890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).