ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C34H53N5O4S — CID 159399359

IUPACethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H11NO2.C9H10N2O2.C9H14N2S.3C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)9-11-7-3-4-10-5-8(7)12-9;3*1-2/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,10,11,12);6,10H,3-5H2,1-2H3;3*1-2H3
InChIKeyLNDIJSCIXHSZIV-UHFFFAOYSA-N
MW627.90 g/mol
LogP8.30
Rot. Bonds3

About ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 159399359) has the molecular formula C34H53N5O4S and a molecular weight of 627.90 g/mol. Its IUPAC name is ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Nameethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID159399359
Molecular FormulaC34H53N5O4S
Molecular Weight627.90 g/mol
Exact Mass627.38
IUPAC Nameethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H11NO2.C9H10N2O2.C9H14N2S.3C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)9-11-7-3-4-10-5-8(7)12-9;3*1-2/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,10,11,12);6,10H,3-5H2,1-2H3;3*1-2H3
InChIKeyLNDIJSCIXHSZIV-UHFFFAOYSA-N
XLogP8.30
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.90
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 159399359) is ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CC.CC.CC.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2.
What is the InChIKey of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is LNDIJSCIXHSZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C9H10N2O2.C9H14N2S.3C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)9-11-7-3-4-10-5-8(7)12-9;3*1-2/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,10,11,12);6,10H,3-5H2,1-2H3;3*1-2H3.
What are the key properties of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 627.90 g/mol, XLogP of 8.30, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 159399359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).