7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H17ClN2OS — CID 118010450

IUPAC7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(CCl)cc(=O)n2c1C1CCCCC1
InChIInChI=1S/C14H17ClN2OS/c1-9-13(10-5-3-2-4-6-10)17-12(18)7-11(8-15)16-14(17)19-9/h7,10H,2-6,8H2,1H3
InChIKeyZMGXNWVUEQTCSY-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.85
Rot. Bonds2

About 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118010450) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118010450
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(CCl)cc(=O)n2c1C1CCCCC1
InChIInChI=1S/C14H17ClN2OS/c1-9-13(10-5-3-2-4-6-10)17-12(18)7-11(8-15)16-14(17)19-9/h7,10H,2-6,8H2,1H3
InChIKeyZMGXNWVUEQTCSY-UHFFFAOYSA-N
XLogP3.85
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118010450) is 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2nc(CCl)cc(=O)n2c1C1CCCCC1.
What is the InChIKey of 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZMGXNWVUEQTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-9-13(10-5-3-2-4-6-10)17-12(18)7-11(8-15)16-14(17)19-9/h7,10H,2-6,8H2,1H3.
What are the key properties of 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 296.82 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-3-cyclohexyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118010450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).