N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide

C15H22N4O3S — CID 95098174

IUPACN-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2nscc21
InChIInChI=1S/C15H22N4O3S/c1-5-10(4)16-12(20)7-18-11-8-23-17-13(11)14(21)19(15(18)22)6-9(2)3/h8-10H,5-7H2,1-4H3,(H,16,20)/t10-/m0/s1
InChIKeyOEGQACUNNFTKFU-JTQLQIEISA-N
MW338.43 g/mol
LogP1.19
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide

N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide (PubChem CID 95098174) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
PubChem CID95098174
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2nscc21
InChIInChI=1S/C15H22N4O3S/c1-5-10(4)16-12(20)7-18-11-8-23-17-13(11)14(21)19(15(18)22)6-9(2)3/h8-10H,5-7H2,1-4H3,(H,16,20)/t10-/m0/s1
InChIKeyOEGQACUNNFTKFU-JTQLQIEISA-N
XLogP1.19
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-butan-2-yl]-2-[6-[(3-methylphenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 95098165
2-(6-ethyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 53153215
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
CID 53153143
N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153157
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 53153167
N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153180
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53153187
N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153171
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 53153031

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide (CID 95098174) is N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide is CC[C@H](C)NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2nscc21.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
The InChIKey is OEGQACUNNFTKFU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-5-10(4)16-12(20)7-18-11-8-23-17-13(11)14(21)19(15(18)22)6-9(2)3/h8-10H,5-7H2,1-4H3,(H,16,20)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[6-(2-methylpropyl)-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 95098174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).