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

C16H21N3O2S — CID 17248364

IUPACN-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NC3CCCCCC3)c(=O)n2c1C
InChIInChI=1S/C16H21N3O2S/c1-10-11(2)22-16-17-9-13(15(21)19(10)16)14(20)18-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,18,20)
InChIKeyKWFIHIKITBKXBZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.83
Rot. Bonds2

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

N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248364) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248364
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NC3CCCCCC3)c(=O)n2c1C
InChIInChI=1S/C16H21N3O2S/c1-10-11(2)22-16-17-9-13(15(21)19(10)16)14(20)18-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,18,20)
InChIKeyKWFIHIKITBKXBZ-UHFFFAOYSA-N
XLogP2.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248364) is N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NC3CCCCCC3)c(=O)n2c1C.
What is the InChIKey of N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KWFIHIKITBKXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-11(2)22-16-17-9-13(15(21)19(10)16)14(20)18-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).