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

C15H18N4O2S2 — CID 121122826

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc(C)nc1C
InChIInChI=1S/C15H18N4O2S2/c1-8-4-14(21)19-11(7-22-15(19)17-8)5-13(20)16-6-12-9(2)18-10(3)23-12/h4,11H,5-7H2,1-3H3,(H,16,20)
InChIKeyOHRKVZUFNAGNBD-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.98
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 121122826) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID121122826
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc(C)nc1C
InChIInChI=1S/C15H18N4O2S2/c1-8-4-14(21)19-11(7-22-15(19)17-8)5-13(20)16-6-12-9(2)18-10(3)23-12/h4,11H,5-7H2,1-3H3,(H,16,20)
InChIKeyOHRKVZUFNAGNBD-UHFFFAOYSA-N
XLogP1.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)thiazole-5-carboxamide
CID 16802450
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 129615312
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
N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethylthiazole-5-carboxamide
CID 16933611
2-isopropyl-4-methyl-N-[(6-oxo-1,6-dihydropyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 135858651
2-(2-aminoethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28263010
7-[[4-(4-Methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685909
7-[[2-(4,5-Dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 72114615
2,4-dimethyl-N-(2-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-3-yl)ethyl)thiazole-5-carboxamide
CID 90508481
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
CID 91774628

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 121122826) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is OHRKVZUFNAGNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-8-4-14(21)19-11(7-22-15(19)17-8)5-13(20)16-6-12-9(2)18-10(3)23-12/h4,11H,5-7H2,1-3H3,(H,16,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 121122826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).