4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C19H17N3OS3 — CID 123669119

IUPAC4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N3OS3/c1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17/h3-11H,20H2,1-2H3
InChIKeyMNEBTBGXNFSNKM-UHFFFAOYSA-N
MW399.57 g/mol
LogP5.18
Rot. Bonds4

About 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 123669119) has the molecular formula C19H17N3OS3 and a molecular weight of 399.57 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID123669119
Molecular FormulaC19H17N3OS3
Molecular Weight399.57 g/mol
Exact Mass399.05
IUPAC Name4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N3OS3/c1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17/h3-11H,20H2,1-2H3
InChIKeyMNEBTBGXNFSNKM-UHFFFAOYSA-N
XLogP5.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 123669119) is 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is MNEBTBGXNFSNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS3/c1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17/h3-11H,20H2,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 399.57 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 123669119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).