N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide

C12H15N3O2S — CID 16933471

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O2S/c1-3-4-5-9(16)14-10-8(2)13-12-15(11(10)17)6-7-18-12/h6-7H,3-5H2,1-2H3,(H,14,16)
InChIKeyLQRRPVRWYSKXTP-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.19
Rot. Bonds4

About N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide (PubChem CID 16933471) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide
PubChem CID16933471
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O2S/c1-3-4-5-9(16)14-10-8(2)13-12-15(11(10)17)6-7-18-12/h6-7H,3-5H2,1-2H3,(H,14,16)
InChIKeyLQRRPVRWYSKXTP-UHFFFAOYSA-N
XLogP2.19
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide (CID 16933471) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide is CCCCC(=O)Nc1c(C)nc2sccn2c1=O.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide?
The InChIKey is LQRRPVRWYSKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-4-5-9(16)14-10-8(2)13-12-15(11(10)17)6-7-18-12/h6-7H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide has a molecular weight of 265.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pentanamide is sourced from PubChem (CID 16933471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).