7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine

C12H16N2S — CID 91236238

IUPAC7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine
SMILESCCc1ncc(C(C)(C)C)c2ncsc12
InChIInChI=1S/C12H16N2S/c1-5-9-11-10(14-7-15-11)8(6-13-9)12(2,3)4/h6-7H,5H2,1-4H3
InChIKeyWELHZACEPFZXTO-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.55
Rot. Bonds1

About 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine

7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 91236238) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine
PubChem CID91236238
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine
SMILESCCc1ncc(C(C)(C)C)c2ncsc12
InChIInChI=1S/C12H16N2S/c1-5-9-11-10(14-7-15-11)8(6-13-9)12(2,3)4/h6-7H,5H2,1-4H3
InChIKeyWELHZACEPFZXTO-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-tert-butyl-[1,3]thiazolo[5,4-c]pyridine
CID 153307298
7-ethyl-4-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 91016106
5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine
CID 166928411
5,7-ditert-butyl-[1,3]thiazolo[5,4-b]pyridine
CID 159647449
4-(2,2-dimethylpropyl)-7-methyl-1,3-benzothiazole
CID 91353241
4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine
CID 91139724
3-tert-butyl-2-ethylpyridine
CID 20664467
5-tert-butyl-2-ethyl-4-methylpyridine
CID 154974877
4-ethyl-5-methyl-1,3-thiazole;methanamine
CID 142407721
4-ethyl-7-propan-2-yl-1,3-benzothiazole
CID 130378060
7-(2,2-dimethylpropyl)-[1,3]thiazolo[4,5-c]pyridine
CID 175626724
2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine
CID 82431180

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine (CID 91236238) is 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine is CCc1ncc(C(C)(C)C)c2ncsc12.
What is the InChIKey of 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WELHZACEPFZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-5-9-11-10(14-7-15-11)8(6-13-9)12(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine?
7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 220.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 91236238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).