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

C15H21N3O2S — CID 51287290

IUPACN-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCCCC1
InChIInChI=1S/C15H21N3O2S/c1-17(11-6-4-2-3-5-7-11)13(19)12-10-16-15-18(14(12)20)8-9-21-15/h10-11H,2-9H2,1H3
InChIKeyHCCFOWDHIJEXGX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.14
Rot. Bonds2

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

N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51287290) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51287290
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCCCC1
InChIInChI=1S/C15H21N3O2S/c1-17(11-6-4-2-3-5-7-11)13(19)12-10-16-15-18(14(12)20)8-9-21-15/h10-11H,2-9H2,1H3
InChIKeyHCCFOWDHIJEXGX-UHFFFAOYSA-N
XLogP2.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51287290) is N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HCCFOWDHIJEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17(11-6-4-2-3-5-7-11)13(19)12-10-16-15-18(14(12)20)8-9-21-15/h10-11H,2-9H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51287290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).