N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide

C15H17N3O3S — CID 154758220

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)N1CCCc2occc2C1
InChIInChI=1S/C15H17N3O3S/c19-15(17-14-16-11-4-6-20-9-13(11)22-14)18-5-1-2-12-10(8-18)3-7-21-12/h3,7H,1-2,4-6,8-9H2,(H,16,17,19)
InChIKeyLJXZCVZFJIODNF-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.79
Rot. Bonds1

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide (PubChem CID 154758220) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide
PubChem CID154758220
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)N1CCCc2occc2C1
InChIInChI=1S/C15H17N3O3S/c19-15(17-14-16-11-4-6-20-9-13(11)22-14)18-5-1-2-12-10(8-18)3-7-21-12/h3,7H,1-2,4-6,8-9H2,(H,16,17,19)
InChIKeyLJXZCVZFJIODNF-UHFFFAOYSA-N
XLogP2.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide with MolForge

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Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71984857
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 128553213
(1R,5S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 154846520
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3,4-dimethylbenzamide
CID 90543562
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 139013342
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 136525046
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119317027
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide (CID 154758220) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide is O=C(Nc1nc2c(s1)COCC2)N1CCCc2occc2C1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide?
The InChIKey is LJXZCVZFJIODNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-15(17-14-16-11-4-6-20-9-13(11)22-14)18-5-1-2-12-10(8-18)3-7-21-12/h3,7H,1-2,4-6,8-9H2,(H,16,17,19).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carboxamide is sourced from PubChem (CID 154758220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).