2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

C14H18N4O3S — CID 125167255

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc([C@H](C)CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C14H18N4O3S/c1-8(13-16-10(3)7-22-13)4-15-11(19)6-18-5-9(2)12(20)17-14(18)21/h5,7-8H,4,6H2,1-3H3,(H,15,19)(H,17,20,21)/t8-/m1/s1
InChIKeyOSRXAKLARJJMOW-MRVPVSSYSA-N
MW322.39 g/mol
LogP0.53
Rot. Bonds5

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 125167255) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID125167255
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc([C@H](C)CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C14H18N4O3S/c1-8(13-16-10(3)7-22-13)4-15-11(19)6-18-5-9(2)12(20)17-14(18)21/h5,7-8H,4,6H2,1-3H3,(H,15,19)(H,17,20,21)/t8-/m1/s1
InChIKeyOSRXAKLARJJMOW-MRVPVSSYSA-N
XLogP0.53
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 124852149
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
CID 120830531
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide
CID 138013751
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653959
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxopyridine-4-carboxamide
CID 118772769
2-[methyl(piperidin-4-yl)amino]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125160379
1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide
CID 126444931
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99931132
N-[1-(cyclohexen-1-yl)ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 131917992
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 45280797
2-ethyl-4-methyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-oxazole-5-carboxamide
CID 164636733

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (CID 125167255) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is Cc1csc([C@H](C)CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)n1.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is OSRXAKLARJJMOW-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8(13-16-10(3)7-22-13)4-15-11(19)6-18-5-9(2)12(20)17-14(18)21/h5,7-8H,4,6H2,1-3H3,(H,15,19)(H,17,20,21)/t8-/m1/s1.
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 125167255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).