2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H16N6O4S2 — CID 18573669

IUPAC2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCCNC(=O)c3cnc4sc(C)cn4c3=O)cnc2s1
InChIInChI=1S/C18H16N6O4S2/c1-9-7-23-15(27)11(5-21-17(23)29-9)13(25)19-3-4-20-14(26)12-6-22-18-24(16(12)28)8-10(2)30-18/h5-8H,3-4H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyLFVDKVGPGXCRCN-UHFFFAOYSA-N
MW444.50 g/mol
LogP0.60
Rot. Bonds5

About 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 18573669) has the molecular formula C18H16N6O4S2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID18573669
Molecular FormulaC18H16N6O4S2
Molecular Weight444.50 g/mol
Exact Mass444.07
IUPAC Name2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCCNC(=O)c3cnc4sc(C)cn4c3=O)cnc2s1
InChIInChI=1S/C18H16N6O4S2/c1-9-7-23-15(27)11(5-21-17(23)29-9)13(25)19-3-4-20-14(26)12-6-22-18-24(16(12)28)8-10(2)30-18/h5-8H,3-4H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyLFVDKVGPGXCRCN-UHFFFAOYSA-N
XLogP0.60
TPSA126.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-ethoxy-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469740
N-[(2-chlorophenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7260694
N-(2,4-dimethylphenyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266724
2-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470982
N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167903386
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974717
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71707599
N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974711
2-methyl-5-oxo-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 119043237
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266736
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 18573669) is 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NCCNC(=O)c3cnc4sc(C)cn4c3=O)cnc2s1.
What is the InChIKey of 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LFVDKVGPGXCRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4S2/c1-9-7-23-15(27)11(5-21-17(23)29-9)13(25)19-3-4-20-14(26)12-6-22-18-24(16(12)28)8-10(2)30-18/h5-8H,3-4H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 18573669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).