(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

C14H18N4O2S — CID 124811668

IUPAC(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCc1nnc([C@]23CCO[C@H]2CCN(Cc2nccs2)C3)o1
InChIInChI=1S/C14H18N4O2S/c1-10-16-17-13(20-10)14-3-6-19-11(14)2-5-18(9-14)8-12-15-4-7-21-12/h4,7,11H,2-3,5-6,8-9H2,1H3/t11-,14-/m0/s1
InChIKeyYDQPSSHIVAYCMT-FZMZJTMJSA-N
MW306.39 g/mol
LogP1.77
Rot. Bonds3

About (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (PubChem CID 124811668) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
PubChem CID124811668
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCc1nnc([C@]23CCO[C@H]2CCN(Cc2nccs2)C3)o1
InChIInChI=1S/C14H18N4O2S/c1-10-16-17-13(20-10)14-3-6-19-11(14)2-5-18(9-14)8-12-15-4-7-21-12/h4,7,11H,2-3,5-6,8-9H2,1H3/t11-,14-/m0/s1
InChIKeyYDQPSSHIVAYCMT-FZMZJTMJSA-N
XLogP1.77
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine with MolForge

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Related Compounds

4a-(methoxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131647084
(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372480
(3aS,7aS)-N-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124791125
[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone
CID 97362824
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
(4aR,8aS)-4a-(pyridin-2-yloxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364255
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
2-(morpholin-4-ylmethyl)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 131645999
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
[(3R)-oxolan-3-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449429
10-(5-methylpyrimidin-2-yl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 134070760

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (CID 124811668) is (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is Cc1nnc([C@]23CCO[C@H]2CCN(Cc2nccs2)C3)o1.
What is the InChIKey of (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The InChIKey is YDQPSSHIVAYCMT-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-16-17-13(20-10)14-3-6-19-11(14)2-5-18(9-14)8-12-15-4-7-21-12/h4,7,11H,2-3,5-6,8-9H2,1H3/t11-,14-/m0/s1.
What are the key properties of (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine has a molecular weight of 306.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 124811668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).