N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

C15H15N3O3S — CID 53167861

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cn2c(n1)CSCC2
InChIInChI=1S/C15H15N3O3S/c19-15(11-7-18-3-4-22-8-14(18)17-11)16-6-10-1-2-12-13(5-10)21-9-20-12/h1-2,5,7H,3-4,6,8-9H2,(H,16,19)
InChIKeyGZFXMLNZHOUMAX-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.79
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (PubChem CID 53167861) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
PubChem CID53167861
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cn2c(n1)CSCC2
InChIInChI=1S/C15H15N3O3S/c19-15(11-7-18-3-4-22-8-14(18)17-11)16-6-10-1-2-12-13(5-10)21-9-20-12/h1-2,5,7H,3-4,6,8-9H2,(H,16,19)
InChIKeyGZFXMLNZHOUMAX-UHFFFAOYSA-N
XLogP1.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167909
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298249
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322286
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
N-(1,3-benzodioxol-5-ylmethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72911057
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)cinnoline-3-carboxamide
CID 110705057
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615950
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778537
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326024
N-(1,3-benzodioxol-5-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384607

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (CID 53167861) is N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cn2c(n1)CSCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The InChIKey is GZFXMLNZHOUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(11-7-18-3-4-22-8-14(18)17-11)16-6-10-1-2-12-13(5-10)21-9-20-12/h1-2,5,7H,3-4,6,8-9H2,(H,16,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is sourced from PubChem (CID 53167861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).