N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O2S — CID 3450654

IUPACN-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H17N3O2S/c18-12(16-10-5-3-1-2-4-6-10)11-9-15-14-17(13(11)19)7-8-20-14/h7-10H,1-6H2,(H,16,18)
InChIKeyWCHZBHGKYQMDGW-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.21
Rot. Bonds2

About N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3450654) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3450654
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H17N3O2S/c18-12(16-10-5-3-1-2-4-6-10)11-9-15-14-17(13(11)19)7-8-20-14/h7-10H,1-6H2,(H,16,18)
InChIKeyWCHZBHGKYQMDGW-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3450654) is N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WCHZBHGKYQMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-12(16-10-5-3-1-2-4-6-10)11-9-15-14-17(13(11)19)7-8-20-14/h7-10H,1-6H2,(H,16,18).
What are the key properties of N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3450654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).