6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H17N3O2S — CID 5223501

IUPAC6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCCCCC3)c(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-14-15-8-11(13(19)17(10)14)12(18)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3
InChIKeyZLWBHIJWXPNIEL-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.08
Rot. Bonds1

About 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 5223501) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID5223501
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCCCCC3)c(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-14-15-8-11(13(19)17(10)14)12(18)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3
InChIKeyZLWBHIJWXPNIEL-UHFFFAOYSA-N
XLogP2.08
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5165321
3-Methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5183768
3-(2-(azepan-1-yl)-2-oxoethyl)-6-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 44044830
N,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3419989
3-Methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3420653
6-(2-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591997
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4096358
3-Methyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4321572
3-methyl-N-(1-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248337
N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469312
N-(2,2-dimethylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469356
N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469486

Frequently Asked Questions

What is the IUPAC name of 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 5223501) is 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(C(=O)N3CCCCCC3)c(=O)n12.
What is the InChIKey of 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZLWBHIJWXPNIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-20-14-15-8-11(13(19)17(10)14)12(18)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3.
What are the key properties of 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 291.38 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepane-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 5223501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).