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

C14H18N4O3S — CID 77085118

IUPACN-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1ncsc1CCN(C)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3S/c1-9-6-18(14(21)16-13(9)20)7-12(19)17(3)5-4-11-10(2)15-8-22-11/h6,8H,4-5,7H2,1-3H3,(H,16,20,21)
InChIKeyCXKDRKRCQKHAEL-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.31
Rot. Bonds5

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

N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 77085118) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID77085118
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1ncsc1CCN(C)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3S/c1-9-6-18(14(21)16-13(9)20)7-12(19)17(3)5-4-11-10(2)15-8-22-11/h6,8H,4-5,7H2,1-3H3,(H,16,20,21)
InChIKeyCXKDRKRCQKHAEL-UHFFFAOYSA-N
XLogP0.31
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875603
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41438789
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
CID 146038181
(2R)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125438357
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 70733275
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 77085118) is N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is Cc1ncsc1CCN(C)C(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is CXKDRKRCQKHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9-6-18(14(21)16-13(9)20)7-12(19)17(3)5-4-11-10(2)15-8-22-11/h6,8H,4-5,7H2,1-3H3,(H,16,20,21).
What are the key properties of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 77085118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).