ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one

C14H22N2OS — CID 169248521

IUPACethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one
SMILESCC.CC(=O)CCC(C)c1nc2ccncc2s1.[H][H]
InChIInChI=1S/C12H14N2OS.C2H6.H2/c1-8(3-4-9(2)15)12-14-10-5-6-13-7-11(10)16-12;1-2;/h5-8H,3-4H2,1-2H3;1-2H3;1H
InChIKeyIKBGTNUJDVFDTL-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.44
Rot. Bonds4

About ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one

ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one (PubChem CID 169248521) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one.

Molecular Properties

Compound Nameethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one
PubChem CID169248521
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Nameethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one
SMILESCC.CC(=O)CCC(C)c1nc2ccncc2s1.[H][H]
InChIInChI=1S/C12H14N2OS.C2H6.H2/c1-8(3-4-9(2)15)12-14-10-5-6-13-7-11(10)16-12;1-2;/h5-8H,3-4H2,1-2H3;1-2H3;1H
InChIKeyIKBGTNUJDVFDTL-UHFFFAOYSA-N
XLogP4.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
[1,3]thiazolo[5,4-c]pyridin-2-ylmethanol
CID 83383627
N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide
CID 87648356
[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 141094419
(E)-N-[2-(1,3-benzothiazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 86858241
6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide
CID 75469836
3-(6-chloro-1,3-benzothiazol-2-yl)butanoic acid
CID 119086695
5-chloro-2-pentan-2-yl-1,3-benzothiazole
CID 91375937
2-(2-methylbutan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 142339795
2-(4-methylphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 86182025
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one?
The IUPAC name of ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one (CID 169248521) is ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one.
What is the SMILES notation for ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one?
The canonical SMILES for ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one is CC.CC(=O)CCC(C)c1nc2ccncc2s1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one?
The InChIKey is IKBGTNUJDVFDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.C2H6.H2/c1-8(3-4-9(2)15)12-14-10-5-6-13-7-11(10)16-12;1-2;/h5-8H,3-4H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one?
ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one has a molecular weight of 266.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;5-([1,3]thiazolo[5,4-c]pyridin-2-yl)hexan-2-one is sourced from PubChem (CID 169248521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).