2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide

C15H22N4O2S — CID 51171156

IUPAC2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C15H22N4O2S/c1-5-18(8-13(20)16-10(2)3)7-12-6-14(21)19-11(4)9-22-15(19)17-12/h6,9-10H,5,7-8H2,1-4H3,(H,16,20)
InChIKeyXHOXGQUYNHOTLN-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.41
Rot. Bonds6

About 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 51171156) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID51171156
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C15H22N4O2S/c1-5-18(8-13(20)16-10(2)3)7-12-6-14(21)19-11(4)9-22-15(19)17-12/h6,9-10H,5,7-8H2,1-4H3,(H,16,20)
InChIKeyXHOXGQUYNHOTLN-UHFFFAOYSA-N
XLogP1.41
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)propionamide
CID 16933444
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butyramide
CID 16933414
N-(3,6-dimethyl-4-oxo-1-thia-3a,7-diaza-5-indenyl)propionamide
CID 16933547
N,N-diethyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135426208
N-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 60465368
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 9450944
2-[Methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]-N-propylacetamide
CID 18166949
2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propylsulfanylpropyl)propanamide
CID 20893133
N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893138
7-Methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 42936215
1-(((2Z)-3-methyl-2-(methylimino)-2,3-dihydro-1,3-thiazol-4-yl)methyl)-2-piperazinone
CID 23131101

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide (CID 51171156) is 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is XHOXGQUYNHOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-5-18(8-13(20)16-10(2)3)7-12-6-14(21)19-11(4)9-22-15(19)17-12/h6,9-10H,5,7-8H2,1-4H3,(H,16,20).
What are the key properties of 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 322.43 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 51171156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).