2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole

C19H14N2O2S2 — CID 134310039

IUPAC2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole
SMILESO=S(c1cc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1
InChIInChI=1S/C19H14N2O2S2/c22-25(13-6-7-13)17-11-15-14(12-4-2-1-3-5-12)10-16(21-19(15)24-17)18-20-8-9-23-18/h1-5,8-11,13H,6-7H2
InChIKeyAUYHIWVAMLCCLD-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.89
Rot. Bonds4

About 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole

2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole (PubChem CID 134310039) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole
PubChem CID134310039
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole
SMILESO=S(c1cc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1
InChIInChI=1S/C19H14N2O2S2/c22-25(13-6-7-13)17-11-15-14(12-4-2-1-3-5-12)10-16(21-19(15)24-17)18-20-8-9-23-18/h1-5,8-11,13H,6-7H2
InChIKeyAUYHIWVAMLCCLD-UHFFFAOYSA-N
XLogP4.89
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine
CID 118059100
US10173991, Example 93
CID 138374653
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)methyl]sulfanyl}-1,3-benzothiazole
CID 683050
2-(1,3-Benzothiazol-2-yl)-5-phenyl-1,3-oxazole
CID 102452120
US20240043440, Example 70
CID 135387619
(5-Benzothiazol-2-yl)sulfonyl-2-p-tolyl-1,3-oxazole
CID 12995338
2-Oxazolyl-6-thiazolyl pyridine
CID 138376878
5-(4-Fluorophenyl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonylmethyl]-1,3-oxazole
CID 47024297
2-[[3-(1,3-Benzothiazol-2-yl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 17432180
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 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole?
The IUPAC name of 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole (CID 134310039) is 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole is O=S(c1cc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1.
What is the InChIKey of 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole?
The InChIKey is AUYHIWVAMLCCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c22-25(13-6-7-13)17-11-15-14(12-4-2-1-3-5-12)10-16(21-19(15)24-17)18-20-8-9-23-18/h1-5,8-11,13H,6-7H2.
What are the key properties of 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole?
2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole has a molecular weight of 366.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylsulfinyl-4-phenylthieno[2,3-b]pyridin-6-yl)-1,3-oxazole is sourced from PubChem (CID 134310039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).