7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H16N2OS — CID 67962773

IUPAC7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(C)nc2sccn2c1=O
InChIInChI=1S/C12H16N2OS/c1-3-4-5-6-10-9(2)13-12-14(11(10)15)7-8-16-12/h7-8H,3-6H2,1-2H3
InChIKeyAKTHQDHSAXKNQO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.80
Rot. Bonds4

About 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 67962773) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID67962773
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(C)nc2sccn2c1=O
InChIInChI=1S/C12H16N2OS/c1-3-4-5-6-10-9(2)13-12-14(11(10)15)7-8-16-12/h7-8H,3-6H2,1-2H3
InChIKeyAKTHQDHSAXKNQO-UHFFFAOYSA-N
XLogP2.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 341216
3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 23155891
7-Methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23545584
6-Ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 67594029
6-Butyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 67962403
5-Hexadecyl-3,6-dimethyl-2-methylsulfanylpyrimidin-4-one
CID 3108078
1-(7-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butane-1,3-dione
CID 11299688
7-Hexyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 12967851
7,8-dihydrocyclopenta[d][1,3]thiazolo[3,2-a]pyrimidin-5(6H)-one
CID 51657733
(6R)-6-bromo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8,11-trien-2-one
CID 51700671
(6S)-6-bromo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8,11-trien-2-one
CID 51700672
6-Bromo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8,11-trien-2-one
CID 56726105

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 67962773) is 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCCc1c(C)nc2sccn2c1=O.
What is the InChIKey of 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AKTHQDHSAXKNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-4-5-6-10-9(2)13-12-14(11(10)15)7-8-16-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 236.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-pentyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 67962773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).