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

C14H20N4O2S — CID 8906530

IUPAC2-[ethyl-[(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)n2ccsc2n1
InChIInChI=1S/C14H20N4O2S/c1-4-17(9-12(19)15-10(2)3)8-11-7-13(20)18-5-6-21-14(18)16-11/h5-7,10H,4,8-9H2,1-3H3,(H,15,19)
InChIKeyBAVABEVMVYSQEF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.10
Rot. Bonds6

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

2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 8906530) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID8906530
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[ethyl-[(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)n2ccsc2n1
InChIInChI=1S/C14H20N4O2S/c1-4-17(9-12(19)15-10(2)3)8-11-7-13(20)18-5-6-21-14(18)16-11/h5-7,10H,4,8-9H2,1-3H3,(H,15,19)
InChIKeyBAVABEVMVYSQEF-UHFFFAOYSA-N
XLogP1.10
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
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
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
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
2-(difluoromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 153961683
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 9450944
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)pivalamide
CID 16933412
2-[Methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]-N-propylacetamide
CID 18166949
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-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
CID 53352301
N-cyclopropyl-1-[(7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-yl)carbonyl]-2-piperazinecarboxamide
CID 56888465

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide (CID 8906530) is 2-[ethyl-[(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-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[(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)n2ccsc2n1.
What is the InChIKey of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is BAVABEVMVYSQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-17(9-12(19)15-10(2)3)8-11-7-13(20)18-5-6-21-14(18)16-11/h5-7,10H,4,8-9H2,1-3H3,(H,15,19).
What are the key properties of 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 308.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8906530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).