7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H16N4O3S2 — CID 17376148

IUPAC7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCS(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C12H16N4O3S2/c1-21(18,19)15-4-2-14(3-5-15)9-10-8-11(17)16-6-7-20-12(16)13-10/h6-8H,2-5,9H2,1H3
InChIKeyRYIKKWUHXNXARI-UHFFFAOYSA-N
MW328.42 g/mol
LogP-0.17
Rot. Bonds3

About 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17376148) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17376148
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCS(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C12H16N4O3S2/c1-21(18,19)15-4-2-14(3-5-15)9-10-8-11(17)16-6-7-20-12(16)13-10/h6-8H,2-5,9H2,1H3
InChIKeyRYIKKWUHXNXARI-UHFFFAOYSA-N
XLogP-0.17
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
ethyl 4-[(3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
CID 24789790
Ethyl 4-({7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-6-YL}sulfonyl)piperazine-1-carboxylate
CID 23004552
6-(4-Cyclohexylpiperazin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8087924
7-[[4-(1,1-Dioxothiolan-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17562295
7-methyl-6-[(2-methylpiperidin-1-yl)sulfonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23004551
7-(Methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009535
7-[(4-Ethylpiperazino)methyl]-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 6469928
N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
CID 7252290
N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
CID 7828882
7-[(4-Ethylpiperazine-1,4-diium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8066883

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17376148) is 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CS(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RYIKKWUHXNXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-21(18,19)15-4-2-14(3-5-15)9-10-8-11(17)16-6-7-20-12(16)13-10/h6-8H,2-5,9H2,1H3.
What are the key properties of 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 328.42 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17376148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).