2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C19H20N4O2S2 — CID 135573895

IUPAC2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1c(C)nc(SCC(=O)N(C)c2nc(-c3ccccc3)cs2)[nH]c1=O
InChIInChI=1S/C19H20N4O2S2/c1-4-14-12(2)20-18(22-17(14)25)26-11-16(24)23(3)19-21-15(10-27-19)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,20,22,25)
InChIKeyJSZUVBNEIUKSDZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.52
Rot. Bonds6

About 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 135573895) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID135573895
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1c(C)nc(SCC(=O)N(C)c2nc(-c3ccccc3)cs2)[nH]c1=O
InChIInChI=1S/C19H20N4O2S2/c1-4-14-12(2)20-18(22-17(14)25)26-11-16(24)23(3)19-21-15(10-27-19)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,20,22,25)
InChIKeyJSZUVBNEIUKSDZ-UHFFFAOYSA-N
XLogP3.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135492064
N-[(E)-benzylideneamino]-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136632205
methyl 2-[[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135438244
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 4851515
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135450709
2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 135439347
ethyl 4-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
CID 135561909
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1135734
2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135456870
2-[(7-benzyl-11,12-dimethyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3218870
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
CID 1176281

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 135573895) is 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CCc1c(C)nc(SCC(=O)N(C)c2nc(-c3ccccc3)cs2)[nH]c1=O.
What is the InChIKey of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JSZUVBNEIUKSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-4-14-12(2)20-18(22-17(14)25)26-11-16(24)23(3)19-21-15(10-27-19)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,20,22,25).
What are the key properties of 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135573895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).