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

C14H17N3O2S — CID 16933419

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c1-9-11(13(19)17-7-8-20-14(17)15-9)16-12(18)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,18)
InChIKeyWZPYDZBXMMIGCB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.58
Rot. Bonds2

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

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide (PubChem CID 16933419) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide
PubChem CID16933419
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c1-9-11(13(19)17-7-8-20-14(17)15-9)16-12(18)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,18)
InChIKeyWZPYDZBXMMIGCB-UHFFFAOYSA-N
XLogP2.58
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.58
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)cyclohexanecarboxamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide (CID 16933419) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide is Cc1nc2sccn2c(=O)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide?
The InChIKey is WZPYDZBXMMIGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-11(13(19)17-7-8-20-14(17)15-9)16-12(18)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,18).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.58, 2 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)cyclohexanecarboxamide is sourced from PubChem (CID 16933419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).