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

C13H18N4O2S — CID 9289334

IUPAC2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-3-4-14-11(18)9-16(2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18)
InChIKeySKMBHTJQLCYNLT-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.71
Rot. Bonds6

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

2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide (PubChem CID 9289334) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
PubChem CID9289334
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-3-4-14-11(18)9-16(2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18)
InChIKeySKMBHTJQLCYNLT-UHFFFAOYSA-N
XLogP0.71
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.71
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
5,5-Dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2540410
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
3,3-dimethyl-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933413
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butyramide
CID 16933414
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)cyclopropanecarboxamide
CID 16933418
N-(3,6-dimethyl-4-oxo-1-thia-3a,7-diaza-5-indenyl)propionamide
CID 16933547
2-(difluoromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 153961683
7-[[3-Aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167882868
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 9450944

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide (CID 9289334) is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
The InChIKey is SKMBHTJQLCYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-4-14-11(18)9-16(2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18).
What are the key properties of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide has a molecular weight of 294.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide is sourced from PubChem (CID 9289334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).