2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane

C14H26N2S — CID 172571254

IUPAC2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane
SMILESCC.CC.CC.Cc1nc2cncc(C)c2s1
InChIInChI=1S/C8H8N2S.3C2H6/c1-5-3-9-4-7-8(5)11-6(2)10-7;3*1-2/h3-4H,1-2H3;3*1-2H3
InChIKeyCMCIRDFZVCCSKT-UHFFFAOYSA-N
MW254.44 g/mol
LogP5.39
Rot. Bonds

About 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane

2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane (PubChem CID 172571254) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane.

Molecular Properties

Compound Name2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane
PubChem CID172571254
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane
SMILESCC.CC.CC.Cc1nc2cncc(C)c2s1
InChIInChI=1S/C8H8N2S.3C2H6/c1-5-3-9-4-7-8(5)11-6(2)10-7;3*1-2/h3-4H,1-2H3;3*1-2H3
InChIKeyCMCIRDFZVCCSKT-UHFFFAOYSA-N
XLogP5.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
3-[(2,5-Dimethyl-4-thiazolyl)ethynyl]pyridine
CID 11615445
2-(3-Pyridyl)benzothiazole
CID 235922
7-Methyl-6,8-bis(methylthio)pyrrolo(1,2-a)pyrazine
CID 128585
3-[(5-Ethyl-2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11572145
(E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
CID 11715388
2-Pyridin-4-yl-1,3-benzothiazole
CID 236319
2-Methyl-[1,3]thiazolo[4,5-c]pyridine
CID 640721
2-Chloro-[1,3]thiazolo[5,4-b]pyridine
CID 13342803
3-Benzothiazol-2-yl-1-ethyl-pyridinium
CID 2832004
N,N-dimethyl-2-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-ylsulfanyl)ethanamine
CID 101747513
Thiazolo(4,5-c)quinoline, 2-methyl-, monohydrochloride
CID 3066128

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane?
The IUPAC name of 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane (CID 172571254) is 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane.
What is the SMILES notation for 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane?
The canonical SMILES for 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane is CC.CC.CC.Cc1nc2cncc(C)c2s1.
What is the InChIKey of 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane?
The InChIKey is CMCIRDFZVCCSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.3C2H6/c1-5-3-9-4-7-8(5)11-6(2)10-7;3*1-2/h3-4H,1-2H3;3*1-2H3.
What are the key properties of 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane?
2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane has a molecular weight of 254.44 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-[1,3]thiazolo[4,5-c]pyridine;ethane is sourced from PubChem (CID 172571254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).