2,2-dimethylpropane;thieno[3,2-c]pyridine

C12H17NS — CID 158078423

IUPAC2,2-dimethylpropane;thieno[3,2-c]pyridine
SMILESCC(C)(C)C.c1cc2sccc2cn1
InChIInChI=1S/C7H5NS.C5H12/c1-3-8-5-6-2-4-9-7(1)6;1-5(2,3)4/h1-5H;1-4H3
InChIKeyFMQOTDABFYBLAZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP4.35
Rot. Bonds

About 2,2-dimethylpropane;thieno[3,2-c]pyridine

2,2-dimethylpropane;thieno[3,2-c]pyridine (PubChem CID 158078423) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2,2-dimethylpropane;thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,2-dimethylpropane;thieno[3,2-c]pyridine
PubChem CID158078423
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2,2-dimethylpropane;thieno[3,2-c]pyridine
SMILESCC(C)(C)C.c1cc2sccc2cn1
InChIInChI=1S/C7H5NS.C5H12/c1-3-8-5-6-2-4-9-7(1)6;1-5(2,3)4/h1-5H;1-4H3
InChIKeyFMQOTDABFYBLAZ-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propane-1,2,3-triol;thieno[3,2-c]pyridine
CID 158137145
thieno[2,3-d]pyridazine
CID 12603003
1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 159097434
thieno[2,3-h]isoquinoline
CID 15192975
thieno[2,3-d]pyridazine;dihydrochloride
CID 53487086
ethane;2-methylthieno[3,2-c]pyridine
CID 144655773
5,6-ditert-butyl-1-benzothiophene
CID 58774764
1-benzothiophene
CID 7221
1-benzothiophene
CID 175697738
ethane;isoquinoline;hydroiodide
CID 153349858
thieno[3,2-c]pyridin-2-ylboronic acid
CID 55265943
4-tert-butylthieno[2,3-c]pyridine;ethane
CID 157336528

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;thieno[3,2-c]pyridine?
The IUPAC name of 2,2-dimethylpropane;thieno[3,2-c]pyridine (CID 158078423) is 2,2-dimethylpropane;thieno[3,2-c]pyridine.
What is the SMILES notation for 2,2-dimethylpropane;thieno[3,2-c]pyridine?
The canonical SMILES for 2,2-dimethylpropane;thieno[3,2-c]pyridine is CC(C)(C)C.c1cc2sccc2cn1.
What is the InChIKey of 2,2-dimethylpropane;thieno[3,2-c]pyridine?
The InChIKey is FMQOTDABFYBLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C5H12/c1-3-8-5-6-2-4-9-7(1)6;1-5(2,3)4/h1-5H;1-4H3.
What are the key properties of 2,2-dimethylpropane;thieno[3,2-c]pyridine?
2,2-dimethylpropane;thieno[3,2-c]pyridine has a molecular weight of 207.34 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;thieno[3,2-c]pyridine is sourced from PubChem (CID 158078423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).