2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide

C20H20N4O2S2 — CID 90546542

IUPAC2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C20H20N4O2S2/c1-12-8-18(26)24-15(11-27-20(24)22-12)9-17(25)21-10-16-13(2)23-19(28-16)14-6-4-3-5-7-14/h3-8,15H,9-11H2,1-2H3,(H,21,25)
InChIKeyMMTXGMVYQGJQBX-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.34
Rot. Bonds5

About 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 90546542) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID90546542
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C20H20N4O2S2/c1-12-8-18(26)24-15(11-27-20(24)22-12)9-17(25)21-10-16-13(2)23-19(28-16)14-6-4-3-5-7-14/h3-8,15H,9-11H2,1-2H3,(H,21,25)
InChIKeyMMTXGMVYQGJQBX-UHFFFAOYSA-N
XLogP3.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide (CID 90546542) is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc(-c2ccccc2)nc1C.
What is the InChIKey of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is MMTXGMVYQGJQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-12-8-18(26)24-15(11-27-20(24)22-12)9-17(25)21-10-16-13(2)23-19(28-16)14-6-4-3-5-7-14/h3-8,15H,9-11H2,1-2H3,(H,21,25).
What are the key properties of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 90546542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).