2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide

C16H20N4O2S2 — CID 121122831

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)s1
InChIInChI=1S/C16H20N4O2S2/c1-8-9(2)19-16-20(15(8)22)12(7-23-16)5-14(21)17-6-13-10(3)18-11(4)24-13/h12H,5-7H2,1-4H3,(H,17,21)
InChIKeyPYZSPLSTEQOMLF-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.29
Rot. Bonds4

About 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 121122831) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID121122831
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)s1
InChIInChI=1S/C16H20N4O2S2/c1-8-9(2)19-16-20(15(8)22)12(7-23-16)5-14(21)17-6-13-10(3)18-11(4)24-13/h12H,5-7H2,1-4H3,(H,17,21)
InChIKeyPYZSPLSTEQOMLF-UHFFFAOYSA-N
XLogP2.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136108193
2-[(2S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136108194
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136253799
2-(2-aminoethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28263010
2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49024400
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 53501495
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 53502502
N-butan-2-yl-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 53541720
2,4-dimethyl-N-(2-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-3-yl)ethyl)thiazole-5-carboxamide
CID 90508481
(4S)-N-[(2S)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95143846
(4R)-N-[(2S)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95143848
(4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95143849

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide (CID 121122831) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1nc(C)c(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)s1.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is PYZSPLSTEQOMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-8-9(2)19-16-20(15(8)22)12(7-23-16)5-14(21)17-6-13-10(3)18-11(4)24-13/h12H,5-7H2,1-4H3,(H,17,21).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 364.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 121122831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).