N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide

C21H23N5O3S2 — CID 136616627

IUPACN-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESCNC(=O)Cc1csc(NC(=O)Cc2c(C)nc(SC(C)c3ccccc3)[nH]c2=O)n1
InChIInChI=1S/C21H23N5O3S2/c1-12-16(10-18(28)25-20-24-15(11-30-20)9-17(27)22-3)19(29)26-21(23-12)31-13(2)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H,22,27)(H,23,26,29)(H,24,25,28)
InChIKeyLIQKMJFCUISNPM-UHFFFAOYSA-N
MW457.58 g/mol
LogP2.86
Rot. Bonds8

About N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide

N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide (PubChem CID 136616627) has the molecular formula C21H23N5O3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
PubChem CID136616627
Molecular FormulaC21H23N5O3S2
Molecular Weight457.58 g/mol
Exact Mass457.12
IUPAC NameN-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESCNC(=O)Cc1csc(NC(=O)Cc2c(C)nc(SC(C)c3ccccc3)[nH]c2=O)n1
InChIInChI=1S/C21H23N5O3S2/c1-12-16(10-18(28)25-20-24-15(11-30-20)9-17(27)22-3)19(29)26-21(23-12)31-13(2)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H,22,27)(H,23,26,29)(H,24,25,28)
InChIKeyLIQKMJFCUISNPM-UHFFFAOYSA-N
XLogP2.86
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide with MolForge

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Related Compounds

2-[2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]-N-methylacetamide
CID 136616206
2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
CID 136616702
N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616709
2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616661
N-(4-bromo-3-methylphenyl)-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616738
4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one
CID 136616671
N-[2-(1H-indol-3-yl)ethyl]-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616626
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135492064
N-(1,3-benzothiazol-2-yl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 135952847
2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]acetamide
CID 136615721
ethyl 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
CID 136687859
methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide (CID 136616627) is N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide is CNC(=O)Cc1csc(NC(=O)Cc2c(C)nc(SC(C)c3ccccc3)[nH]c2=O)n1.
What is the InChIKey of N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is LIQKMJFCUISNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2/c1-12-16(10-18(28)25-20-24-15(11-30-20)9-17(27)22-3)19(29)26-21(23-12)31-13(2)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H,22,27)(H,23,26,29)(H,24,25,28).
What are the key properties of N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 457.58 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 136616627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).