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

C15H22N4O2S — CID 71984857

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)Nc1nc3c(s1)COCC3)CC2
InChIInChI=1S/C15H22N4O2S/c1-18-10-2-3-11(18)8-19(6-4-10)15(20)17-14-16-12-5-7-21-9-13(12)22-14/h10-11H,2-9H2,1H3,(H,16,17,20)
InChIKeyVZPZLXPZSHOXGL-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.92
Rot. Bonds1

About 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

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 (PubChem CID 71984857) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71984857
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)Nc1nc3c(s1)COCC3)CC2
InChIInChI=1S/C15H22N4O2S/c1-18-10-2-3-11(18)8-19(6-4-10)15(20)17-14-16-12-5-7-21-9-13(12)22-14/h10-11H,2-9H2,1H3,(H,16,17,20)
InChIKeyVZPZLXPZSHOXGL-UHFFFAOYSA-N
XLogP1.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
(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
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
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
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 90543695
(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide
CID 99821031
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 136525046
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C2CCC1CN(C(=O)Nc1nc3c(s1)COCC3)CC2.
What is the InChIKey of 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?
The InChIKey is VZPZLXPZSHOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-18-10-2-3-11(18)8-19(6-4-10)15(20)17-14-16-12-5-7-21-9-13(12)22-14/h10-11H,2-9H2,1H3,(H,16,17,20).
What are the key properties of 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?
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 has a molecular weight of 322.43 g/mol, XLogP of 1.92, 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)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71984857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).