ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine

C17H22N4S2 — CID 145201710

IUPACethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
SMILESCC.CCN1CCc2c(sc(N)c2-c2nc3cnccc3s2)C1
InChIInChI=1S/C15H16N4S2.C2H6/c1-2-19-6-4-9-12(8-19)20-14(16)13(9)15-18-10-7-17-5-3-11(10)21-15;1-2/h3,5,7H,2,4,6,8,16H2,1H3;1-2H3
InChIKeyPJQQMESCHOYXDA-UHFFFAOYSA-N
MW346.53 g/mol
LogP4.41
Rot. Bonds2

About ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine

ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine (PubChem CID 145201710) has the molecular formula C17H22N4S2 and a molecular weight of 346.53 g/mol. Its IUPAC name is ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine.

Molecular Properties

Compound Nameethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
PubChem CID145201710
Molecular FormulaC17H22N4S2
Molecular Weight346.53 g/mol
Exact Mass346.13
IUPAC Nameethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
SMILESCC.CCN1CCc2c(sc(N)c2-c2nc3cnccc3s2)C1
InChIInChI=1S/C15H16N4S2.C2H6/c1-2-19-6-4-9-12(8-19)20-14(16)13(9)15-18-10-7-17-5-3-11(10)21-15;1-2/h3,5,7H,2,4,6,8,16H2,1H3;1-2H3
InChIKeyPJQQMESCHOYXDA-UHFFFAOYSA-N
XLogP4.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-2-yl)-7-propan-2-yl-4,5,6,8-tetrahydrothieno[2,3-c]azepin-2-amine
CID 71006853
2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 89439622
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methylsulfanylbenzamide
CID 29043414
2-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 145201793
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methylbenzamide
CID 4595397
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-chlorobenzamide
CID 3421819
2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-thiophen-2-ylethanone
CID 58169080
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide
CID 3386441
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride
CID 71778333
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-chlorothiophene-2-carboxamide
CID 4319272
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 43950730
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dichlorobenzamide
CID 4548799

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
The IUPAC name of ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine (CID 145201710) is ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine.
What is the SMILES notation for ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
The canonical SMILES for ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine is CC.CCN1CCc2c(sc(N)c2-c2nc3cnccc3s2)C1.
What is the InChIKey of ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
The InChIKey is PJQQMESCHOYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2.C2H6/c1-2-19-6-4-9-12(8-19)20-14(16)13(9)15-18-10-7-17-5-3-11(10)21-15;1-2/h3,5,7H,2,4,6,8,16H2,1H3;1-2H3.
What are the key properties of ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine has a molecular weight of 346.53 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine is sourced from PubChem (CID 145201710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).