N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O3S — CID 135853307

IUPACN-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H17N3O3S/c18-11(15-9-5-3-1-2-4-6-9)10-12(19)16-14-17(13(10)20)7-8-21-14/h7-9,19H,1-6H2,(H,15,18)
InChIKeyUALRJIWHBAHHPC-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.91
Rot. Bonds2

About N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853307) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853307
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C14H17N3O3S/c18-11(15-9-5-3-1-2-4-6-9)10-12(19)16-14-17(13(10)20)7-8-21-14/h7-9,19H,1-6H2,(H,15,18)
InChIKeyUALRJIWHBAHHPC-UHFFFAOYSA-N
XLogP1.91
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853307) is N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCCCC1)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UALRJIWHBAHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-11(15-9-5-3-1-2-4-6-9)10-12(19)16-14-17(13(10)20)7-8-21-14/h7-9,19H,1-6H2,(H,15,18).
What are the key properties of N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).