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

C17H21N3O2S — CID 53167866

IUPACN-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCCC(NC(=O)c1cn2c(n1)CSCC2)c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O2S/c1-3-14(12-4-6-13(22-2)7-5-12)19-17(21)15-10-20-8-9-23-11-16(20)18-15/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,19,21)
InChIKeyHIUIBKKPOGWCJB-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.02
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (PubChem CID 53167866) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
PubChem CID53167866
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCCC(NC(=O)c1cn2c(n1)CSCC2)c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O2S/c1-3-14(12-4-6-13(22-2)7-5-12)19-17(21)15-10-20-8-9-23-11-16(20)18-15/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,19,21)
InChIKeyHIUIBKKPOGWCJB-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (CID 53167866) is N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is CCC(NC(=O)c1cn2c(n1)CSCC2)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The InChIKey is HIUIBKKPOGWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-14(12-4-6-13(22-2)7-5-12)19-17(21)15-10-20-8-9-23-11-16(20)18-15/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is sourced from PubChem (CID 53167866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).