ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine

C21H23N3OS2 — CID 142485768

IUPACethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine
SMILESCC.CC(C)Sc1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N3OS2.C2H6/c1-11(2)24-19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-23-17;1-2/h3-11H,20H2,1-2H3;1-2H3
InChIKeyYGDZQKIEJYQSBO-UHFFFAOYSA-N
MW397.57 g/mol
LogP6.73
Rot. Bonds4

About ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine

ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine (PubChem CID 142485768) has the molecular formula C21H23N3OS2 and a molecular weight of 397.57 g/mol. Its IUPAC name is ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Nameethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine
PubChem CID142485768
Molecular FormulaC21H23N3OS2
Molecular Weight397.57 g/mol
Exact Mass397.13
IUPAC Nameethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine
SMILESCC.CC(C)Sc1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N3OS2.C2H6/c1-11(2)24-19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-23-17;1-2/h3-11H,20H2,1-2H3;1-2H3
InChIKeyYGDZQKIEJYQSBO-UHFFFAOYSA-N
XLogP6.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

2-Butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine
CID 118059100
6-(1,3-Oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
CID 123216017
2-[(2-Phenyl-1,3-oxazol-5-yl)methylthio]benzothiazole
CID 683050
2-(1,3-Benzothiazol-2-yl)-5-phenyl-1,3-oxazole
CID 102452120
N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 24764558
US20240043440, Example 70
CID 135387619
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 71888448
N-[3-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methylamino]propyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1,3-oxazol-2-yl)benzamide
CID 143783151
4,5,6-Trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 11645713
3-Amino-6-(furan-2-yl)-4-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 14510407
4-[3-(4-Chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole
CID 23633509
3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide
CID 24875684

Frequently Asked Questions

What is the IUPAC name of ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine (CID 142485768) is ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine is CC.CC(C)Sc1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine?
The InChIKey is YGDZQKIEJYQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2.C2H6/c1-11(2)24-19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-23-17;1-2/h3-11H,20H2,1-2H3;1-2H3.
What are the key properties of ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine?
ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine has a molecular weight of 397.57 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfanylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).