N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

C15H16FN3OS — CID 53167865

IUPACN-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCC(NC(=O)c1cn2c(n1)CSCC2)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3OS/c1-10(11-2-4-12(16)5-3-11)17-15(20)13-8-19-6-7-21-9-14(19)18-13/h2-5,8,10H,6-7,9H2,1H3,(H,17,20)
InChIKeyJSEXSIOTQWYQJV-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.76
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (PubChem CID 53167865) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
PubChem CID53167865
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCC(NC(=O)c1cn2c(n1)CSCC2)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3OS/c1-10(11-2-4-12(16)5-3-11)17-15(20)13-8-19-6-7-21-9-14(19)18-13/h2-5,8,10H,6-7,9H2,1H3,(H,17,20)
InChIKeyJSEXSIOTQWYQJV-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (CID 53167865) is N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is CC(NC(=O)c1cn2c(n1)CSCC2)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The InChIKey is JSEXSIOTQWYQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-10(11-2-4-12(16)5-3-11)17-15(20)13-8-19-6-7-21-9-14(19)18-13/h2-5,8,10H,6-7,9H2,1H3,(H,17,20).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is sourced from PubChem (CID 53167865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).