N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

C17H24N6O3S — CID 138048609

IUPACN-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCOC(C)c1nsc(N2CCOCC2CNC(=O)c2cn3c(n2)CCC3)n1
InChIInChI=1S/C17H24N6O3S/c1-11(25-2)15-20-17(27-21-15)23-6-7-26-10-12(23)8-18-16(24)13-9-22-5-3-4-14(22)19-13/h9,11-12H,3-8,10H2,1-2H3,(H,18,24)
InChIKeyCIGGEMWQMLLCDN-UHFFFAOYSA-N
MW392.49 g/mol
LogP1.02
Rot. Bonds6

About N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (PubChem CID 138048609) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
PubChem CID138048609
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCOC(C)c1nsc(N2CCOCC2CNC(=O)c2cn3c(n2)CCC3)n1
InChIInChI=1S/C17H24N6O3S/c1-11(25-2)15-20-17(27-21-15)23-6-7-26-10-12(23)8-18-16(24)13-9-22-5-3-4-14(22)19-13/h9,11-12H,3-8,10H2,1-2H3,(H,18,24)
InChIKeyCIGGEMWQMLLCDN-UHFFFAOYSA-N
XLogP1.02
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The IUPAC name of N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (CID 138048609) is N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.
What is the SMILES notation for N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The canonical SMILES for N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is COC(C)c1nsc(N2CCOCC2CNC(=O)c2cn3c(n2)CCC3)n1.
What is the InChIKey of N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The InChIKey is CIGGEMWQMLLCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-11(25-2)15-20-17(27-21-15)23-6-7-26-10-12(23)8-18-16(24)13-9-22-5-3-4-14(22)19-13/h9,11-12H,3-8,10H2,1-2H3,(H,18,24).
What are the key properties of N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is sourced from PubChem (CID 138048609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).