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

C15H19N3O2S2 — CID 126469653

IUPACN-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3O2S2/c1-2-21-13-11(12(19)16-10-6-4-3-5-7-10)14(20)18-8-9-22-15(18)17-13/h8-10H,2-7H2,1H3,(H,16,19)
InChIKeyGSTPOAZJQGPNQR-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.93
Rot. Bonds4

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

N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469653) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469653
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3O2S2/c1-2-21-13-11(12(19)16-10-6-4-3-5-7-10)14(20)18-8-9-22-15(18)17-13/h8-10H,2-7H2,1H3,(H,16,19)
InChIKeyGSTPOAZJQGPNQR-UHFFFAOYSA-N
XLogP2.93
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469653) is N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCSc1nc2sccn2c(=O)c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GSTPOAZJQGPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-2-21-13-11(12(19)16-10-6-4-3-5-7-10)14(20)18-8-9-22-15(18)17-13/h8-10H,2-7H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).